2-[2-[(2-aminophenyl)carbonyl-(C-pyrrolidin-1-ylcarbonimidoyl)amino]ethanoyl]-5-azanyl-pent-4-ynoic acid

Systemtic Name: 2-[2-[(2-aminophenyl)carbonyl-(C-pyrrolidin-1-ylcarbonimidoyl)amino]ethanoyl]-5-azanyl-pent-4-ynoic acid Openeye Name: 5-amino-2-[2-[(2-aminobenzoyl)-(pyrrolidine-1-carboximidoyl)amino]acetyl]pent-4-ynoic acid CAS Name: 5-amino-2-[2-[[(2-aminophenyl)-oxomethyl]-[imino(1-pyrrolidinyl)methyl]amino]-1-oxoethyl]-4-pentynoic acid IUPAC Name: 5-amino-2-[2-[(2-aminobenzoyl)-(pyrrolidine-1-carboximidoyl)amino]acetyl]pent-4-ynoic acid Traditional Name: 5-amino-2-[2-[anthraniloyl(pyrrolidine-1-carboximidoyl)amino]acetyl]pent-4-ynoic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=N)N(CC(=O)C(CC#CN)C(=O)O)C(=O)C2=CC=CC=C2N

Isomeric SMILES

C1CCN(C1)C(=N)N(CC(=O)C(CC#CN)C(=O)O)C(=O)C2=CC=CC=C2N

InChI

InChI=1S/C19H23N5O4/c20-9-5-7-14(18(27)28)16(25)12-24(19(22)23-10-3-4-11-23)17(26)13-6-1-2-8-15(13)21/h1-2,6,8,14,22H,3-4,7,10-12,20-21H2,(H,27,28)