Primary Record
Ancovenin
- In stock
- 5,544 g
- Purity
- 99.8 %
- CAS
- 88201-41-6
Compound Identifiers & Properties
- CAS
- 88201-41-6
- PubChem CID
- 139589045
- SMILES
- C[C@H]1[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]3CSC[C@H](C(=O)N[C@@H](CS1)C(=O)NC(=C)C(=O)N[C@@H](C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](C(=O)N2)CC(C)C)CC5=CC=CC=C5)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CS[C@H]([C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC3=O)CC(=O)O)CC(=O)N)C(=O)N[C@H](CCCCN)C(=O)O)C)N)C(C)C)CCC(=O)N)CO)CC6=CNC7=CC=CC=C76
- Canonical SMILES
- C=C1NC(=O)[C@@H]2CS[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H](Cc3ccccc3)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](N)CS[C@@H](C)[C@@H](C(=O)N[C@H](CCCCN)C(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC1=O)C(=O)N2
Names & Synonyms
- Ancovenin
- RefChem:112585
- CP395ET6E9
- DTXCID60159381
- DTXSID30236890
- CHEBI:222926
- 88201-41-6
- (2R)-6-amino-2-((((1S,4R,10R,19S,22R,25R,28S,31R,34S,37S,43R,46R,47S,50S,53S,56S,62S)-50-amino-10-benzyl-37-(carboxymethyl)-2,5,8,11,20,23,26,29,32,35,38,41,44,51,54,57-hexadecahydroxy-43-(2-hydroxy-2-iminoethyl)-56-(3-hydroxy-3-iminopropyl)-31-(hydroxymethyl)-28-(1H-indol-3-ylmethyl)-47,62-dimethyl-7-methylidene-22-(2-methylpropyl)-14-oxo-53-propan-2-yl-48,60,63-trithia-3,6,9,12,15,21,24,27,30,33,36,39,42,45,52,55,58-heptadecazatetracyclo(32.24.3.34,25.015,19)tetrahexaconta-2,5,8,11,20,23,26,29,32,35,38,41,44,51,54,57-hexadecaen-46-yl)-hydroxymethylidene)amino)hexanoic acid
- (2R)-6-amino-2-(((1S,4R,10R,19S,22R,25R,28S,31R,34S,37S,43R,46R,47S,50S,53S,56S,62S)-50-amino-43-(2-amino-2-oxoethyl)-56-(3-amino-3-oxopropyl)-10-benzyl-37-(carboxymethyl)-31-(hydroxymethyl)-28-(1H-indol-3-ylmethyl)-47,62-dimethyl-7-methylidene-22-(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32,35,38,41,44,51,54,57-heptadecaoxo-53-propan-2-yl-48,60,63-trithia-3,6,9,12,15,21,24,27,30,33,36,39,42,45,52,55,58-heptadecazatetracyclo(32.24.3.34,25.015,19)tetrahexacontane-46-carbonyl)amino)hexanoic acid
- (2R)-6-amino-2-[[[(1S,4R,10R,19S,22R,25R,28S,31R,34S,37S,43R,46R,47S,50S,53S,56S,62S)-50-amino-10-benzyl-37-(carboxymethyl)-2,5,8,11,20,23,26,29,32,35,38,41,44,51,54,57-hexadecahydroxy-43-(2-hydroxy-2-iminoethyl)-56-(3-hydroxy-3-iminopropyl)-31-(hydroxymethyl)-28-(1H-indol-3-ylmethyl)-47,62-dimethyl-7-methylidene-22-(2-methylpropyl)-14-oxo-53-propan-2-yl-48,60,63-trithia-3,6,9,12,15,21,24,27,30,33,36,39,42,45,52,55,58-heptadecazatetracyclo[32.24.3.34,25.015,19]tetrahexaconta-2,5,8,11,20,23,26,29,32,35,38,41,44,51,54,57-hexadecaen-46-yl]-hydroxymethylidene]amino]hexanoic acid
- (2S)-6-amino-2-(((1R,4S,7S,10S,13R,18R,21S,27S,30R,33S,36S,39R,42S,45S,54S)-13-amino-21-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-54-benzyl-27-(carboxymethyl)-33-(hydroxymethyl)-36-(1H-indol-3-ylmethyl)-57-methylidene-42-(2-methylpropyl)-3,6,9,12,20,23,26,29,32,35,38,41,44,50,53,56,59-heptadecaoxo-10-propan-2-yl-15,61,65-trithia-2,5,8,11,19,22,25,28,31,34,37,40,43,49,52,55,58-heptadecazatetracyclo(37.20.4.34,30.045,49)hexahexacontane-18-carbonyl)amino)hexanoic acid
- (2S)-6-amino-2-[[(1R,4S,7S,10S,13R,18R,21S,27S,30R,33S,36S,39R,42S,45S,54S)-13-amino-21-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-54-benzyl-27-(carboxymethyl)-33-(hydroxymethyl)-36-(1H-indol-3-ylmethyl)-57-methylidene-42-(2-methylpropyl)-3,6,9,12,20,23,26,29,32,35,38,41,44,50,53,56,59-heptadecaoxo-10-propan-2-yl-15,61,65-trithia-2,5,8,11,19,22,25,28,31,34,37,40,43,49,52,55,58-heptadecazatetracy