(4S)-4-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-ynoic acid

Systemtic Name: (4S)-4-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-ynoic acid Openeye Name: (4S)-4-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-ynoic acid CAS Name: (4S)-4-[[(2S)-2-benzamido-1-oxo-3-phenylpropyl]amino]-5-phenyl-2-pentynoic acid IUPAC Name: (4S)-4-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-5-phenylpent-2-ynoic acid Traditional Name: (4S)-4-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-ynoic acid Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C#CC(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C#CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H24N2O4/c30-25(31)17-16-23(18-20-10-4-1-5-11-20)28-27(33)24(19-21-12-6-2-7-13-21)29-26(32)22-14-8-3-9-15-22/h1-15,23-24H,18-19H2,(H,28,33)(H,29,32)(H,30,31)/t23-,24+/m1/s1