(2R)-4-methyl-2-[[2-oxidanylidene-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoyl]amino]pentanoic acid

Systemtic Name: (2R)-4-methyl-2-[[2-oxidanylidene-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoyl]amino]pentanoic acid Openeye Name: (2R)-2-[[3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-oxo-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2R)-2-[[1,2-dioxo-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]pentyl]amino]-4-methylpentanoic acid IUPAC Name: (2R)-4-methyl-2-[[2-oxo-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoyl]amino]pentanoic acid Traditional Name: (2R)-2-[[3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-keto-pentanoyl]amino]-4-methyl-valeric acid Formula: C28H35N3O7 MolecularWeight: 525.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)C(=O)N[C@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H35N3O7/c1-4-21(24(32)26(34)30-23(27(35)36)15-18(2)3)29-25(33)22(16-19-11-7-5-8-12-19)31-28(37)38-17-20-13-9-6-10-14-20/h5-14,18,21-23H,4,15-17H2,1-3H3,(H,29,33)(H,30,34)(H,31,37)(H,35,36)/t21?,22-,23+/m0/s1