methyl (E,2S,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-(naphthalen-2-ylcarbonylamino)-5-phenyl-pent-4-enoate

Systemtic Name: methyl (E,2S,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-(naphthalen-2-ylcarbonylamino)-5-phenyl-pent-4-enoate Openeye Name: methyl (E,2S,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-(naphthalene-2-carbonylamino)-5-phenyl-pent-4-enoate CAS Name: (E,2S,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[[2-naphthalenyl(oxo)methyl]amino]-5-phenyl-4-pentenoic acid methyl ester IUPAC Name: methyl (E,2S,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-(naphthalene-2-carbonylamino)-5-phenylpent-4-enoate Traditional Name: (E,2S,3R)-2-(3-amidinobenzyl)-3-(2-naphthoylamino)-5-phenyl-pent-4-enoic acid methyl ester Formula: C31H29N3O3 MolecularWeight: 491.58026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(C=CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC(=C1)C(=N)N)[C@@H](/C=C/C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C31H29N3O3/c1-37-31(36)27(19-22-10-7-13-25(18-22)29(32)33)28(17-14-21-8-3-2-4-9-21)34-30(35)26-16-15-23-11-5-6-12-24(23)20-26/h2-18,20,27-28H,19H2,1H3,(H3,32,33)(H,34,35)/b17-14+/t27-,28+/m0/s1