(3S)-3-[[(2S)-4-methyl-2-[methyl(2-phenylethanoyl)amino]pentanoyl]amino]-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-1-(4-oxidanylpiperidin-1-yl)-3-phenyl-propan-2-yl]amino]butanoic acid

Systemtic Name: (3S)-3-[[(2S)-4-methyl-2-[methyl(2-phenylethanoyl)amino]pentanoyl]amino]-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-1-(4-oxidanylpiperidin-1-yl)-3-phenyl-propan-2-yl]amino]butanoic acid Openeye Name: (3S)-4-[[(1S)-1-benzyl-2-(4-hydroxy-1-piperidyl)-2-oxo-ethyl]amino]-3-[[(2S)-4-methyl-2-[methyl-(2-phenylacetyl)amino]pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-(4-hydroxy-1-piperidinyl)-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-4-methyl-2-[methyl-(1-oxo-2-phenylethyl)amino]-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-4-methyl-2-[methyl-(2-phenylacetyl)amino]pentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-1-benzyl-2-(4-hydroxypiperidino)-2-keto-ethyl]amino]-4-keto-3-[[(2S)-4-methyl-2-[methyl-(2-phenylacetyl)amino]pentanoyl]amino]butyric acid Formula: C33H44N4O7 MolecularWeight: 608.72506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCC(CC2)O)N(C)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC(CC2)O)N(C)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C33H44N4O7/c1-22(2)18-28(36(3)29(39)20-24-12-8-5-9-13-24)32(43)34-26(21-30(40)41)31(42)35-27(19-23-10-6-4-7-11-23)33(44)37-16-14-25(38)15-17-37/h4-13,22,25-28,38H,14-21H2,1-3H3,(H,34,43)(H,35,42)(H,40,41)/t26-,27-,28-/m0/s1