methyl (2S)-2-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-(2-phenoxyethanoylamino)pentanoyl]amino]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-(2-phenoxyethanoylamino)pentanoyl]amino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoyl]amino]butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-3-methyl-2-[[(2S)-4-methyl-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]pentyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-phenoxyacetyl)amino]pentanoyl]amino]butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C29H39N3O6 MolecularWeight: 525.63646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C29H39N3O6/c1-19(2)16-23(30-25(33)18-38-22-14-10-7-11-15-22)27(34)32-26(20(3)4)28(35)31-24(29(36)37-5)17-21-12-8-6-9-13-21/h6-15,19-20,23-24,26H,16-18H2,1-5H3,(H,30,33)(H,31,35)(H,32,34)/t23-,24-,26-/m0/s1