(4S)-4-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(2S)-4-azanyl-1-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(2S)-4-azanyl-1-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-3-amino-1-[[(1S,2S)-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2,4-diamino-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-5-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-keto-butanoyl]prolyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-3-amino-1-[[(1S,2S)-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-keto-propyl]amino]-5-keto-valeric acid Formula: C42H65N11O13 MolecularWeight: 932.0314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(CC(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C42H65N11O13/c1-4-22(2)34(40(63)47-23(3)42(65)66)52-38(61)29(21-32(46)55)51-36(59)27(15-16-33(56)57)48-37(60)28(19-24-11-6-5-7-12-24)50-35(58)26(13-8-9-17-43)49-39(62)30-14-10-18-53(30)41(64)25(44)20-31(45)54/h5-7,11-12,22-23,25-30,34H,4,8-10,13-21,43-44H2,1-3H3,(H2,45,54)(H2,46,55)(H,47,63)(H,48,60)(H,49,62)(H,50,58)(H,51,59)(H,52,61)(H,56,57)(H,65,66)/t22-,23-,25-,26-,27-,28-,29-,30-,34-/m0/s1