Cas no 212007-18-6 ((2S,3S)-2-dimethylamino-N-[(2S)-2-[[(2R)-2-methoxy-4-[(2S)-2-[(2R)-1-methoxy-2-methyl-3-oxo-3-[[(1R)-2-phenyl-1-thiazol-2-yl-ethyl]amino]propyl]pyrrolidin-1-yl]-4-oxo-1-sec-butyl-butyl]-methyl-amino]-3-methyl-butanoyl]-3-methyl-pentanamide)
212007-18-6 structure
Product Name:(2S,3S)-2-dimethylamino-N-[(2S)-2-[[(2R)-2-methoxy-4-[(2S)-2-[(2R)-1-methoxy-2-methyl-3-oxo-3-[[(1R)-2-phenyl-1-thiazol-2-yl-ethyl]amino]propyl]pyrrolidin-1-yl]-4-oxo-1-sec-butyl-butyl]-methyl-amino]-3-methyl-butanoyl]-3-methyl-pentanamide
CAS No:212007-18-6
MF:C43H70N6O6S
MW:799.117510318756
CID:1399184
PubChem ID:154160
Update Time:2025-04-20
(2S,3S)-2-dimethylamino-N-[(2S)-2-[[(2R)-2-methoxy-4-[(2S)-2-[(2R)-1-methoxy-2-methyl-3-oxo-3-[[(1R)-2-phenyl-1-thiazol-2-yl-ethyl]amino]propyl]pyrrolidin-1-yl]-4-oxo-1-sec-butyl-butyl]-methyl-amino]-3-methyl-butanoyl]-3-methyl-pentanamide Chemical and Physical Properties
Names and Identifiers
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- (2S,3S)-2-dimethylamino-N-[(2S)-2-[[(2R)-2-methoxy-4-[(2S)-2-[(2R)-1-methoxy-2-methyl-3-oxo-3-[[(1R)-2-phenyl-1-thiazol-2-yl-ethyl]amino]propyl]pyrrolidin-1-yl]-4-oxo-1-sec-butyl-butyl]-methyl-amino]-3-methyl-butanoyl]-3-methyl-pentanamide
- (2S,3S)-2-dimethylamino-N-[(2S)-2-[[(2R)-2-methoxy-4-[(2S)-2-[(2R)-1-methoxy-2-methyl-3-oxo-3-[[(1R)-2-phenyl-1-thiazol-2-yl-ethyl]amino]propyl]pyrrolidin-1-yl]-4-oxo-1-sec-butyl-butyl]-methyl-amino]-
- 212007-18-6
- (2S,3S)-2-(dimethylamino)-N-[(2S)-2-[[(3R,5S)-3-methoxy-1-[(2S)-2-[(2R)-1-methoxy-2-methyl-3-oxo-3-[[(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methylbutanoyl]-3-methylpentanamide
- DTXSID40943543
- L-Valinamide, N,N-dimethyl-L-isoleucyl-N-((1S,2R)-2-methoxy-4-((2S)-2-((1R,2R)-1-methoxy-2-methyl-3-oxo-3-(((1S)-2-phenyl-1-(2-thiazolyl)ethyl)amino)propyl)-1-pyrrolidinyl)-1-((1S)-1-methylpropyl)-4-oxobutyl)-N-methyl-
- Symplostatin 1
-
- Inchi: 1S/C43H70N6O6S/c1-13-28(5)37(48(10)36(27(3)4)41(52)46-42(53)38(47(8)9)29(6)14-2)34(54-11)26-35(50)49-23-18-21-33(49)39(55-12)30(7)40(51)45-32(43-44-22-24-56-43)25-31-19-16-15-17-20-31/h15-17,19-20,22,24,27-30,32-34,36-39H,13-14,18,21,23,25-26H2,1-12H3,(H,45,51)(H,46,52,53)/t28-,29-,30+,32+,33-,34+,36-,37?,38-,39?/m0/s1
- InChI Key: QUBPPXJLERPMJG-KHXKPWQOSA-N
- SMILES: S1C=CN=C1[C@@H](CC1C=CC=CC=1)NC([C@H](C)C([C@@H]1CCCN1C(C[C@H](C([C@@H](C)CC)N(C)[C@H](C(NC([C@H]([C@@H](C)CC)N(C)C)=O)=O)C(C)C)OC)=O)OC)=O
Computed Properties
- Exact Mass: 798.5082
- Monoisotopic Mass: 798.508
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 56
- Rotatable Bond Count: 22
- Complexity: 1240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.5
- Topological Polar Surface Area: 162?2
Experimental Properties
- Density: 1.11
- Boiling Point: 875.6°C at 760 mmHg
- Flash Point: 483.3°C
- Refractive Index: 1.535
- PSA: 133.41
(2S,3S)-2-dimethylamino-N-[(2S)-2-[[(2R)-2-methoxy-4-[(2S)-2-[(2R)-1-methoxy-2-methyl-3-oxo-3-[[(1R)-2-phenyl-1-thiazol-2-yl-ethyl]amino]propyl]pyrrolidin-1-yl]-4-oxo-1-sec-butyl-butyl]-methyl-amino]-3-methyl-butanoyl]-3-methyl-pentanamide Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
212007-18-6 ((2S,3S)-2-dimethylamino-N-[(2S)-2-[[(2R)-2-methoxy-4-[(2S)-2-[(2R)-1-methoxy-2-methyl-3-oxo-3-[[(1R)-2-phenyl-1-thiazol-2-yl-ethyl]amino]propyl]pyrrolidin-1-yl]-4-oxo-1-sec-butyl-butyl]-methyl-amino]-3-methyl-butanoyl]-3-methyl-pentanamide) Related Products
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