2-[[3-(3-carbamimidoylphenyl)-3-[(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]propanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(3-carbamimidoylphenyl)-3-[(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)carbonylamino]propanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-(3-carbamimidoylphenyl)-3-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propanoyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(3-carbamimidoylphenyl)-3-[[[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]-oxomethyl]amino]-1-oxopropyl]-methylamino]acetic acid IUPAC Name: 2-[[3-(3-carbamimidoylphenyl)-3-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propanoyl]-methylamino]acetic acid Traditional Name: 2-[[3-(3-amidinophenyl)-3-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propanoyl]-methyl-amino]acetic acid Formula: C26H31N5O5 MolecularWeight: 493.55484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC(=O)N(C)CC(=O)O)C2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CC(=O)N(C)CC(=O)O)C2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C26H31N5O5/c1-16-12-19(8-9-20(16)26(36)31-10-3-4-11-31)25(35)29-21(14-22(32)30(2)15-23(33)34)17-6-5-7-18(13-17)24(27)28/h5-9,12-13,21H,3-4,10-11,14-15H2,1-2H3,(H3,27,28)(H,29,35)(H,33,34)