(4S)-4-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S,3S)-2-[2-[2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-5-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S,3S)-2-[2-[2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-5-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]pentanoic acid Openeye Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]acetyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]-5-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-5-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]acetyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]-5-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C42H73N13O15S2 MolecularWeight: 1064.23712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)O)NC(=O)CNC(=O)CNC(=O)C(CS)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CS)N

InChI

InChI=1S/C42H73N13O15S2/c1-5-20(3)33(54-31(59)17-47-30(58)16-48-35(62)22(44)18-71)41(68)55-34(21(4)6-2)40(67)51-24(10-12-28(45)56)37(64)49-23(9-7-8-14-43)36(63)52-26(15-29(46)57)39(66)50-25(11-13-32(60)61)38(65)53-27(19-72)42(69)70/h20-27,33-34,71-72H,5-19,43-44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,58)(H,48,62)(H,49,64)(H,50,66)(H,51,67)(H,52,63)(H,53,65)(H,54,59)(H,55,68)(H,60,61)(H,69,70)/t20-,21-,22-,23-,24-,25-,26-,27-,33-,34-/m0/s1