5-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]amino]-4-methyl-pentanoyl]amino]-5-methyl-2-oxidanylidene-hexanoyl]amino]-4-oxidanylidene-2-phenyl-pentanoic acid

Systemtic Name: 5-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]amino]-4-methyl-pentanoyl]amino]-5-methyl-2-oxidanylidene-hexanoyl]amino]-4-oxidanylidene-2-phenyl-pentanoic acid Openeye Name: 5-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]-4-methyl-pentanoyl]amino]-5-methyl-2-oxo-hexanoyl]amino]-4-oxo-2-phenyl-pentanoic acid CAS Name: 5-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-5-methyl-1,2-dioxohexyl]amino]-4-oxo-2-phenylpentanoic acid IUPAC Name: 5-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]amino]-4-methylpentanoyl]amino]-5-methyl-2-oxohexanoyl]amino]-4-oxo-2-phenylpentanoic acid Traditional Name: 5-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]-4-methyl-pentanoyl]amino]-2-keto-5-methyl-hexanoyl]amino]-4-keto-2-phenyl-valeric acid Formula: C37H56N4O9 MolecularWeight: 700.86194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=O)NCC(=O)CC(C1=CC=CC=C1)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C2CCCCC2)NC(=O)OCC(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(CC(C)C)C(=O)C(=O)NCC(=O)CC(C1=CC=CC=C1)C(=O)O)NC(=O)[C@H](C2CCCCC2)NC(=O)OCC(C)C

InChI

InChI=1S/C37H56N4O9/c1-22(2)17-29(32(43)35(46)38-20-27(42)19-28(36(47)48)25-13-9-7-10-14-25)39-33(44)30(18-23(3)4)40-34(45)31(26-15-11-8-12-16-26)41-37(49)50-21-24(5)6/h7,9-10,13-14,22-24,26,28-31H,8,11-12,15-21H2,1-6H3,(H,38,46)(H,39,44)(H,40,45)(H,41,49)(H,47,48)/t28?,29?,30-,31-/m0/s1