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

Systemtic Name: methyl (2S)-2-[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]pent-4-enoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]pent-4-enoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(2S)-2-benzamido-4-methyl-1-oxopentyl]amino]-1-oxopent-4-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-[[(2S)-2-benzamido-4-methylpentanoyl]amino]pent-4-enoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[2-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]pent-4-enoylamino]-3-phenyl-propionic acid methyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H35N3O5/c1-5-12-22(26(33)31-24(28(35)36-4)18-20-13-8-6-9-14-20)29-27(34)23(17-19(2)3)30-25(32)21-15-10-7-11-16-21/h5-11,13-16,19,22-24H,1,12,17-18H2,2-4H3,(H,29,34)(H,30,32)(H,31,33)/t22?,23-,24-/m0/s1