2-[[[4-carbamimidoyl-2,5-dimethyl-3-phenyl-6-(prop-2-ynylamino)phenyl]-propan-2-yl-carbamoyl]amino]ethanoic acid

Systemtic Name: 2-[[[4-carbamimidoyl-2,5-dimethyl-3-phenyl-6-(prop-2-ynylamino)phenyl]-propan-2-yl-carbamoyl]amino]ethanoic acid Openeye Name: 2-[[[4-carbamimidoyl-2,5-dimethyl-3-phenyl-6-(prop-2-ynylamino)phenyl]-isopropyl-carbamoyl]amino]acetic acid CAS Name: 2-[[[4-carbamimidoyl-2,5-dimethyl-3-phenyl-N-propan-2-yl-6-(prop-2-ynylamino)anilino]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[[4-carbamimidoyl-2,5-dimethyl-3-phenyl-6-(prop-2-ynylamino)phenyl]-propan-2-ylcarbamoyl]amino]acetic acid Traditional Name: 2-[[[4-amidino-2,5-dimethyl-3-phenyl-6-(propargylamino)phenyl]-isopropyl-carbamoyl]amino]acetic acid Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C2=CC=CC=C2)C(=N)N)C)NCC#C)N(C(C)C)C(=O)NCC(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1C2=CC=CC=C2)C(=N)N)C)NCC#C)N(C(C)C)C(=O)NCC(=O)O

InChI

InChI=1S/C24H29N5O3/c1-6-12-27-21-15(4)20(23(25)26)19(17-10-8-7-9-11-17)16(5)22(21)29(14(2)3)24(32)28-13-18(30)31/h1,7-11,14,27H,12-13H2,2-5H3,(H3,25,26)(H,28,32)(H,30,31)