ethyl 3-[[3-[(4-carbamimidoylphenyl)carbamoylamino]-3-naphthalen-2-yl-propanoyl]amino]propanoate

Systemtic Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)carbamoylamino]-3-naphthalen-2-yl-propanoyl]amino]propanoate Openeye Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)carbamoylamino]-3-(2-naphthyl)propanoyl]amino]propanoate CAS Name: 3-[[3-[[(4-carbamimidoylanilino)-oxomethyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoyl]amino]propanoate Traditional Name: 3-[[3-[(4-amidinophenyl)carbamoylamino]-3-(2-naphthyl)propanoyl]amino]propionic acid ethyl ester Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CC(C1=CC2=CC=CC=C2C=C1)NC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CCNC(=O)CC(C1=CC2=CC=CC=C2C=C1)NC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H29N5O4/c1-2-35-24(33)13-14-29-23(32)16-22(20-8-7-17-5-3-4-6-19(17)15-20)31-26(34)30-21-11-9-18(10-12-21)25(27)28/h3-12,15,22H,2,13-14,16H2,1H3,(H3,27,28)(H,29,32)(H2,30,31,34)