3-azanyl-4-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-3-methyl-phenyl]-propan-2-yl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-3-methyl-phenyl]-propan-2-yl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-isopropyl-3-methyl-anilino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-3-methyl-N-propan-2-ylanilino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-3-methyl-N-propan-2-ylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-amidinoanilino)prop-1-ynyl]-N-isopropyl-3-methyl-anilino]-3-amino-4-keto-butyric acid Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C(C)C)C(=O)C(CC(=O)O)N)C#CCNC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1)N(C(C)C)C(=O)C(CC(=O)O)N)C#CCNC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C24H29N5O3/c1-15(2)29(24(32)21(25)14-22(30)31)20-11-8-17(16(3)13-20)5-4-12-28-19-9-6-18(7-10-19)23(26)27/h6-11,13,15,21,28H,12,14,25H2,1-3H3,(H3,26,27)(H,30,31)