1-[2-(2-azanylethanoylamino)propanoyl]-3-(3-carbamimidoylphenyl)carbonyl-3-naphthalen-1-yl-2-naphthalen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(2-azanylethanoylamino)propanoyl]-3-(3-carbamimidoylphenyl)carbonyl-3-naphthalen-1-yl-2-naphthalen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-aminoacetyl)amino]propanoyl]-3-(3-carbamimidoylbenzoyl)-3-(1-naphthyl)-2-(2-naphthyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]-3-[(3-carbamimidoylphenyl)-oxomethyl]-3-(1-naphthalenyl)-2-(2-naphthalenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-aminoacetyl)amino]propanoyl]-3-(3-carbamimidoylbenzoyl)-3-naphthalen-1-yl-2-naphthalen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 3-(3-amidinobenzoyl)-1-[2-(glycylamino)propanoyl]-3-(1-naphthyl)-2-(2-naphthyl)proline Formula: C38H35N5O5 MolecularWeight: 641.715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(C1(C2=CC3=CC=CC=C3C=C2)C(=O)O)(C4=CC=CC5=CC=CC=C54)C(=O)C6=CC(=CC=C6)C(=N)N)NC(=O)CN

Isomeric SMILES

CC(C(=O)N1CCC(C1(C2=CC3=CC=CC=C3C=C2)C(=O)O)(C4=CC=CC5=CC=CC=C54)C(=O)C6=CC(=CC=C6)C(=N)N)NC(=O)CN

InChI

InChI=1S/C38H35N5O5/c1-23(42-32(44)22-39)35(46)43-19-18-37(31-15-7-11-25-9-4-5-14-30(25)31,33(45)27-12-6-13-28(20-27)34(40)41)38(43,36(47)48)29-17-16-24-8-2-3-10-26(24)21-29/h2-17,20-21,23H,18-19,22,39H2,1H3,(H3,40,41)(H,42,44)(H,47,48)