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

Systemtic Name: methyl (2S)-2-[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[(2S)-2-benzamido-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5/c1-17(2)14-20(28-23(30)19-12-8-5-9-13-19)24(31)26-16-22(29)27-21(25(32)33-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,26,31)(H,27,29)(H,28,30)/t20-,21-/m0/s1