(2R)-2-[[(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-4-(methylthio)butanoyl]amino]-4-keto-butanoyl]amino]hexanoyl]amino]-3-mercapto-propionic acid Formula: C43H74N16O13S4 MolecularWeight: 1151.40706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H74N16O13S4/c1-76-13-10-27(39(67)57-29(15-33(48)61)41(69)53-25(7-3-5-12-45)38(66)59-31(20-75)43(71)72)52-34(62)17-50-36(64)26(8-9-32(47)60)55-37(65)24(6-2-4-11-44)54-42(70)30(19-74)58-40(68)28(14-22-16-49-21-51-22)56-35(63)23(46)18-73/h16,21,23-31,73-75H,2-15,17-20,44-46H2,1H3,(H2,47,60)(H2,48,61)(H,49,51)(H,50,64)(H,52,62)(H,53,69)(H,54,70)(H,55,65)(H,56,63)(H,57,67)(H,58,68)(H,59,66)(H,71,72)/t23-,24-,25-,26-,27-,28-,29-,30-,31-/m0/s1