2-[(3S)-4-[2-[(4-carbamimidoylphenyl)methylamino]ethanoyl]-3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[(3S)-4-[2-[(4-carbamimidoylphenyl)methylamino]ethanoyl]-3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-4-[2-[(4-carbamimidoylphenyl)methylamino]acetyl]-3-(2-methoxy-2-oxo-ethyl)-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[(3S)-4-[2-[(4-carbamimidoylphenyl)methylamino]-1-oxoethyl]-3-(2-methoxy-2-oxoethyl)-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[(3S)-4-[2-[(4-carbamimidoylphenyl)methylamino]acetyl]-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[(3S)-4-[2-[(4-amidinobenzyl)amino]acetyl]-2-keto-3-(2-keto-2-methoxy-ethyl)piperazino]acetic acid Formula: C19H25N5O6 MolecularWeight: 419.4317

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CCN1C(=O)CNCC2=CC=C(C=C2)C(=N)N)CC(=O)O

Isomeric SMILES

COC(=O)C[C@H]1C(=O)N(CCN1C(=O)CNCC2=CC=C(C=C2)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H25N5O6/c1-30-17(28)8-14-19(29)23(11-16(26)27)6-7-24(14)15(25)10-22-9-12-2-4-13(5-3-12)18(20)21/h2-5,14,22H,6-11H2,1H3,(H3,20,21)(H,26,27)/t14-/m0/s1