Cas no 119613-51-3 (Butanediamide,N1-(32-amino-7,16,25-trioxo-6,10,15,19,24,28-hexaazadotriacont-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-,(2S)- (9CI))

Butanediamide,N1-(32-amino-7,16,25-trioxo-6,10,15,19,24,28-hexaazadotriacont-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-,(2S)- (9CI) structure
119613-51-3 structure
Product Name:Butanediamide,N1-(32-amino-7,16,25-trioxo-6,10,15,19,24,28-hexaazadotriacont-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-,(2S)- (9CI)
CAS No:119613-51-3
MF:C40H69N11O7
MW:816.045368909836
CID:157674
Update Time:2024-03-01

Butanediamide,N1-(32-amino-7,16,25-trioxo-6,10,15,19,24,28-hexaazadotriacont-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-,(2S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Butanediamide,N1-(32-amino-7,16,25-trioxo-6,10,15,19,24,28-hexaazadotriacont-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-,(2S)- (9CI)
    • Butanediamide,N1-(32-amino-7,16,25-trioxo-6,10,15,19,24,28-hexaazadotriacont-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]
    • Butanediamide,N1-(32-amino-7,16,25-trioxo-6,10,15,19,24,28-hexaazadotriacont-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-,(S)-
    • Nephilatoxin 5
    • NPTX 5
    • Butanediamide, N1-(32-amino-7,16,25-trioxo-6,10,15,19,24,28-hexaazadotriacont-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-, (2S)- (9CI)
    • Inchi： 1S/C40H69N11O7/c41-16-2-5-17-43-24-13-36(55)47-21-8-7-19-45-26-15-37(56)48-22-9-6-18-44-25-14-35(54)46-20-3-1-4-23-49-40(58)32(28-34(42)53)51-38(57)27-30-29-50-31-11-10-12-33(52)39(30)31/h10-12,29,32,43-45,50,52H,1-9,13-28,41H2,(H2,42,53)(H,46,54)(H,47,55)(H,48,56)(H,49,58)(H,51,57)/t32-/m0/s1
    • InChI Key： IXLKDSDHOUAZIZ-YTTGMZPUSA-N
    • SMILES： C(NCCCCCNC(=O)CCNCCCCNC(=O)CCNCCCCNC(=O)CCNCCCCN)(=O)[C@@H](NC(CC1C2=C(NC=1)C=CC=C2O)=O)CC(N)=O

Computed Properties

  • Exact Mass: 272.08309
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 58
  • XLogP3: -2.332

Experimental Properties

  • Density: 1.183±0.06 g/cm3(Predicted)
  • Boiling Point: 1221.6±65.0 °C(Predicted)
  • PSA: 52.54
  • pka: 9.76±0.40(Predicted)

Butanediamide,N1-(32-amino-7,16,25-trioxo-6,10,15,19,24,28-hexaazadotriacont-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-,(2S)- (9CI) Related Literature

Related Categories

119613-51-3 (Butanediamide,N1-(32-amino-7,16,25-trioxo-6,10,15,19,24,28-hexaazadotriacont-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-,(2S)- (9CI)) Related Products

Recommended suppliers
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd