(3R)-7-[(4-carbamimidoylphenyl)carbonylamino]-3-(2-naphthalen-1-ylethanoylamino)heptanoic acid

Systemtic Name: (3R)-7-[(4-carbamimidoylphenyl)carbonylamino]-3-(2-naphthalen-1-ylethanoylamino)heptanoic acid Openeye Name: (3R)-7-[(4-carbamimidoylbenzoyl)amino]-3-[[2-(1-naphthyl)acetyl]amino]heptanoic acid CAS Name: (3R)-7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-[[2-(1-naphthalenyl)-1-oxoethyl]amino]heptanoic acid IUPAC Name: (3R)-7-[(4-carbamimidoylbenzoyl)amino]-3-[(2-naphthalen-1-ylacetyl)amino]heptanoic acid Traditional Name: (3R)-7-[(4-amidinobenzoyl)amino]-3-[[2-(1-naphthyl)acetyl]amino]enanthic acid Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(CCCCNC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)N[C@H](CCCCNC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C27H30N4O4/c28-26(29)19-11-13-20(14-12-19)27(35)30-15-4-3-9-22(17-25(33)34)31-24(32)16-21-8-5-7-18-6-1-2-10-23(18)21/h1-2,5-8,10-14,22H,3-4,9,15-17H2,(H3,28,29)(H,30,35)(H,31,32)(H,33,34)/t22-/m1/s1