ethyl (3S)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl (3S)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-(3-pyridyl)propanoate CAS Name: (3S)-3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (3S)-3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CN=CC=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H25N5O4/c1-2-30-20(29)12-17(15-4-3-11-24-13-15)26-19(28)10-9-18(27)25-16-7-5-14(6-8-16)21(22)23/h3-8,11,13,17H,2,9-10,12H2,1H3,(H3,22,23)(H,25,27)(H,26,28)/t17-/m0/s1