(2S)-2-[[(2S,3S)-2-[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S,3S)-2-[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S,3S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S,3S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S,3S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S,3S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]hexanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C40H70N12O11S2 MolecularWeight: 959.1876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CS)NC(=O)C(CC1=CN=CN1)NC(=O)C(C(C)C)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(C(C)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C40H70N12O11S2/c1-8-21(6)32(39(61)52-31(20(4)5)40(62)63)50-28(54)15-44-33(55)26(16-64)48-35(57)25(13-23-14-43-18-45-23)47-38(60)30(19(2)3)51-36(58)27(17-65)49-34(56)24(11-9-10-12-41)46-37(59)29(42)22(7)53/h14,18-22,24-27,29-32,53,64-65H,8-13,15-17,41-42H2,1-7H3,(H,43,45)(H,44,55)(H,46,59)(H,47,60)(H,48,57)(H,49,56)(H,50,54)(H,51,58)(H,52,61)(H,62,63)/t21-,22+,24-,25-,26-,27-,29-,30-,31-,32-/m0/s1