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

Systemtic Name: methyl (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-4-cyano-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-4-cyano-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-1-oxopentyl]amino]-4-cyano-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[(2S)-2-benzamido-4-methylpentanoyl]amino]-4-cyanobutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-4-cyano-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C28H34N4O5 MolecularWeight: 506.59336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC#N)C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O5/c1-19(2)17-23(31-25(33)21-13-8-5-9-14-21)27(35)30-22(15-10-16-29)26(34)32-24(28(36)37-3)18-20-11-6-4-7-12-20/h4-9,11-14,19,22-24H,10,15,17-18H2,1-3H3,(H,30,35)(H,31,33)(H,32,34)/t22?,23-,24-/m0/s1