(E,2S)-2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-phenyl-but-3-enoic acid

Systemtic Name: (E,2S)-2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-phenyl-but-3-enoic acid Openeye Name: (E,2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-phenyl-but-3-enoic acid CAS Name: (E,2S)-2-[[(2R)-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-phenyl-3-butenoic acid IUPAC Name: (E,2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-phenylbut-3-enoic acid Traditional Name: (E,2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-phenyl-but-3-enoic acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C=CC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](/C=C/C3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C28H29N3O4/c29-23(18-21-12-6-2-7-13-21)26(32)31-25(19-22-14-8-3-9-15-22)27(33)30-24(28(34)35)17-16-20-10-4-1-5-11-20/h1-17,23-25H,18-19,29H2,(H,30,33)(H,31,32)(H,34,35)/b17-16+/t23-,24+,25-/m1/s1