3-[[4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-cyclopentyl-amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-cyclopentyl-amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(3-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-N-cyclopentyl-2-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N-cyclopentyl-2-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N-cyclopentyl-2-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(3-amidino-N-methyl-anilino)prop-1-ynyl]-N-cyclopentyl-2-methyl-anilino]-3-keto-propionic acid Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)N(C3CCCC3)C(=O)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)N(C3CCCC3)C(=O)CC(=O)O

InChI

InChI=1S/C26H30N4O3/c1-18-15-19(7-6-14-29(2)22-11-5-8-20(16-22)26(27)28)12-13-23(18)30(21-9-3-4-10-21)24(31)17-25(32)33/h5,8,11-13,15-16,21H,3-4,9-10,14,17H2,1-2H3,(H3,27,28)(H,32,33)