(4S)-4-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-[[(2S,3S,4S,5S)-5-[[(2S,3S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-[[(2S,3S,4S,5S)-5-[[(2S,3S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-[[(1S,2S,3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-1-benzyl-2,3-dihydroxy-5-phenyl-pentyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-5-[[(2S,3S,4S,5S)-5-[[(2S,3S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-[[(2S,3S,4S,5S)-5-[[(2S,3S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-5-[[(1S,2S,3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-1-benzyl-2,3-dihydroxy-5-phenyl-pentyl]amino]-5-keto-valeric acid Formula: C51H64N6O10 MolecularWeight: 921.08806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C)O)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H]([C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C)O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C51H64N6O10/c1-5-32(2)45(57-50(66)43(53-34(4)59)31-38-24-16-9-17-25-38)51(67)56-41(29-36-20-12-7-13-21-36)47(63)46(62)40(28-35-18-10-6-11-19-35)55-48(64)39(26-27-44(60)61)54-49(65)42(52-33(3)58)30-37-22-14-8-15-23-37/h6-25,32,39-43,45-47,62-63H,5,26-31H2,1-4H3,(H,52,58)(H,53,59)(H,54,65)(H,55,64)(H,56,67)(H,57,66)(H,60,61)/t32-,39-,40-,41-,42-,43-,45-,46-,47-/m0/s1