Cas no 155547-93-6 (L-Proline,2-hydroxy-3-methylpentanoyl-L-norvalyl-N5-[N-[3-[2-[1-[(3-amino-5-methyl-1,2-dioxohexyl)amino]ethyl]-4-oxazolyl]-1-oxo-2-propenyl]-5-hydroxy-L-tryptophyl]-L-ornithyl-,cyclic (4®3)-peptide (9CI))

L-Proline,2-hydroxy-3-methylpentanoyl-L-norvalyl-N5-[N-[3-[2-[1-[(3-amino-5-methyl-1,2-dioxohexyl)amino]ethyl]-4-oxazolyl]-1-oxo-2-propenyl]-5-hydroxy-L-tryptophyl]-L-ornithyl-,cyclic (4®3)-peptide (9CI) structure
155547-93-6 structure
Product Name:L-Proline,2-hydroxy-3-methylpentanoyl-L-norvalyl-N5-[N-[3-[2-[1-[(3-amino-5-methyl-1,2-dioxohexyl)amino]ethyl]-4-oxazolyl]-1-oxo-2-propenyl]-5-hydroxy-L-tryptophyl]-L-ornithyl-,cyclic (4®3)-peptide (9CI)
CAS No:155547-93-6
MF:C47H65N9O11
MW:932.072711706162
CID:208790
PubChem ID:6443505
Update Time:2025-04-19

L-Proline,2-hydroxy-3-methylpentanoyl-L-norvalyl-N5-[N-[3-[2-[1-[(3-amino-5-methyl-1,2-dioxohexyl)amino]ethyl]-4-oxazolyl]-1-oxo-2-propenyl]-5-hydroxy-L-tryptophyl]-L-ornithyl-,cyclic (4®3)-peptide (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-amino-N-[1-[4-[(E)-3-[[(2S)-1-[[(4S)-4-amino-5-[(2S)-2-[(2S)-2-aminopentanoyl]-2-formyl-3-(2-hydroxy-3-methylpentanoyl)-3H-pyrrol-1-yl]-5-oxopentyl]amino]-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-y
    • L-Proline,2-hydroxy-3-methylpentanoyl-L-norvalyl-N5-[N-[3-[2-[1-[(3-amino-5-methyl-1,2-dioxohexyl)amino]ethyl]-4-oxazolyl]-1-
    • 3)-peptide (9CI)
    • L-Proline, N-(2-hydroxy-3-methyl-1-oxopentyl)-L-norvalyl-N5-(N-(3-(2-(1-((3-amino-5-methyl-1,2-dioxohexyl)amino)ethyl)-4-oxazolyl)-1-oxo-2-propenyl)-5-hydroxy-L-tryptophyl)-L-ornithyl-, cyclic (3-2)-peptide
    • L-Proline,2-hydroxy-3-methylpentanoyl-L-norvalyl-N5-[N-[3-[2-[1-[(3-amino-5-methyl-1,2-dioxohexyl)amino]ethyl]-4-oxazolyl]-1-oxo-2-propenyl]-5-hydroxy-L-tryptophyl]-L-ornithyl-,cyclic (4&reg
    • N-{(4S)-4-amino-5-[(2S)-2-[(2S)-2-aminopentanoyl]-2-formyl-3-(2-hydroxy-3-methylpentanoyl)-2,3-dihydro-1H-pyrrol-1-yl]-5-oxopentyl}-Nα-[(2E)-3-(2-{1-[(3-amino-5-methyl-2-oxohexanoyl)amino]ethyl}-1,3-oxazol-4-yl)prop-2-enoyl]-5-hydro
    • Discobahamin A
    • 3-amino-N-[1-[4-[(E)-3-[[(2S)-1-[[(4S)-4-amino-5-[(2S)-2-[(2S)-2-aminopentanoyl]-2-formyl-3-(2-hydroxy-3-methylpentanoyl)-3H-pyrrol-1-yl]-5-oxopentyl]amino]-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxoprop-1-enyl]-1,3-oxazol-2-yl]ethyl]-5-methyl-2-oxohexanamide
    • 155547-93-6
    • L-Proline,2-hydroxy-3-methylpentanoyl-L-norvalyl-N5-[N-[3-[2-[1-[(3-amino-5-methyl-1,2-dioxohexyl)amino]ethyl]-4-oxazolyl]-1-oxo-2-propenyl]-5-hydroxy-L-tryptophyl]-L-ornithyl-,cyclic (4®3)-peptide (9CI)
    • Inchi： 1S/C47H65N9O11/c1-7-10-33(48)42(63)47(24-57)32(40(61)39(60)26(5)8-2)16-18-56(47)46(66)34(49)11-9-17-51-43(64)37(20-28-22-52-36-14-13-30(58)21-31(28)36)55-38(59)15-12-29-23-67-45(54-29)27(6)53-44(65)41(62)35(50)19-25(3)4/h12-16,18,21-27,32-35,37,39,52,58,60H,7-11,17,19-20,48-50H2,1-6H3,(H,51,64)(H,53,65)(H,55,59)/b15-12+/t26?,27?,32?,33-,34-,35?,37-,39?,47+/m0/s1
    • InChI Key： IKIDULYSIBTEOW-JOHKBFABSA-N
    • SMILES： O=C([C@H](CCC)N)[C@@]1(C=O)C(C(C(C(C)CC)O)=O)C=CN1C([C@H](CCCNC([C@H](CC1=CNC2C=CC(=CC1=2)O)NC(/C=C/C1=COC(C(C)NC(C(C(CC(C)C)N)=O)=O)=N1)=O)=O)N)=O

Computed Properties

  • Exact Mass: 931.480354
  • Monoisotopic Mass: 931.480354
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 67
  • Rotatable Bond Count: 26
  • Complexity: 1830
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 336
  • XLogP3: 1.4

Experimental Properties

  • Color/Form: Solid powder
  • Density: 1.31
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.62

L-Proline,2-hydroxy-3-methylpentanoyl-L-norvalyl-N5-[N-[3-[2-[1-[(3-amino-5-methyl-1,2-dioxohexyl)amino]ethyl]-4-oxazolyl]-1-oxo-2-propenyl]-5-hydroxy-L-tryptophyl]-L-ornithyl-,cyclic (4®3)-peptide (9CI) Security Information

  • Signal Word：Warning
  • Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

L-Proline,2-hydroxy-3-methylpentanoyl-L-norvalyl-N5-[N-[3-[2-[1-[(3-amino-5-methyl-1,2-dioxohexyl)amino]ethyl]-4-oxazolyl]-1-oxo-2-propenyl]-5-hydroxy-L-tryptophyl]-L-ornithyl-,cyclic (4®3)-peptide (9CI) Related Literature

Related Categories

155547-93-6 (L-Proline,2-hydroxy-3-methylpentanoyl-L-norvalyl-N5-[N-[3-[2-[1-[(3-amino-5-methyl-1,2-dioxohexyl)amino]ethyl]-4-oxazolyl]-1-oxo-2-propenyl]-5-hydroxy-L-tryptophyl]-L-ornithyl-,cyclic (4®3)-peptide (9CI)) Related Products

Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk