(3R)-4-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S)-2-[[[(1S)-1-phenylethyl]carbamoyl-propyl-amino]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-oxidanyl-amino]-4-oxidanylidene-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanoic acid

Systemtic Name: (3R)-4-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S)-2-[[[(1S)-1-phenylethyl]carbamoyl-propyl-amino]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-oxidanyl-amino]-4-oxidanylidene-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanoic acid Openeye Name: (3R)-4-[hydroxy-[(1S,2S)-2-methyl-1-[[(1S)-2-methyl-1-[(2S)-2-[[[(1S)-1-phenylethyl]carbamoyl-propyl-amino]carbamoyl]pyrrolidine-1-carbonyl]propyl]carbamoyl]butyl]amino]-3-[(4-hydroxy-4-oxo-butanoyl)amino]-4-oxo-butanoic acid CAS Name: (3R)-3-[(4-hydroxy-1,4-dioxobutyl)amino]-4-[hydroxy-[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[oxo-[2-[oxo-[[(1S)-1-phenylethyl]amino]methyl]-2-propylhydrazinyl]methyl]-1-pyrrolidinyl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3R)-4-[hydroxy-[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[[(1S)-1-phenylethyl]carbamoyl-propylamino]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-[(4-hydroxy-4-oxobutanoyl)amino]-4-oxobutanoic acid Traditional Name: (3R)-3-[(4-hydroxy-4-keto-butanoyl)amino]-4-[hydroxy-[(1S,2S)-2-methyl-1-[[(1S)-2-methyl-1-[(2S)-2-[[[(1S)-1-phenylethyl]carbamoyl-propyl-amino]carbamoyl]pyrrolidine-1-carbonyl]propyl]carbamoyl]butyl]amino]-4-keto-butyric acid Formula: C36H55N7O11 MolecularWeight: 761.8622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)NC(C)C1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C(C)CC)N(C(=O)C(CC(=O)O)NC(=O)CCC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C36H55N7O11/c1-7-18-42(36(53)37-23(6)24-13-10-9-11-14-24)40-32(49)26-15-12-19-41(26)35(52)30(21(3)4)39-33(50)31(22(5)8-2)43(54)34(51)25(20-29(47)48)38-27(44)16-17-28(45)46/h9-11,13-14,21-23,25-26,30-31,54H,7-8,12,15-20H2,1-6H3,(H,37,53)(H,38,44)(H,39,50)(H,40,49)(H,45,46)(H,47,48)/t22-,23-,25+,26-,30-,31-/m0/s1