(3S)-3-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-4-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-(glycylamino)-3-phenyl-propanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-4-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]amino]-4-keto-butyric acid Formula: C34H53N9O12 MolecularWeight: 779.83772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN

InChI

InChI=1S/C34H53N9O12/c1-3-18(2)28(43-32(52)22(14-25(37)45)40-30(50)21(38-26(46)16-36)13-19-9-5-4-6-10-19)33(53)39-20(11-7-8-12-35)29(49)41-23(15-27(47)48)31(51)42-24(17-44)34(54)55/h4-6,9-10,18,20-24,28,44H,3,7-8,11-17,35-36H2,1-2H3,(H2,37,45)(H,38,46)(H,39,53)(H,40,50)(H,41,49)(H,42,51)(H,43,52)(H,47,48)(H,54,55)/t18-,20-,21-,22-,23-,24-,28-/m0/s1