2-[[(2R)-1-[[(2R)-2-azanyl-3-phenyl-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoylamino]ethanoic acid

Systemtic Name: 2-[[(2R)-1-[[(2R)-2-azanyl-3-phenyl-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoylamino]ethanoic acid Openeye Name: 2-[[(1R)-2-[[(2R)-2-amino-3-phenyl-propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoylamino]acetic acid CAS Name: 2-[[[[(2R)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(2R)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoylamino]acetic acid Traditional Name: 2-[[(1R)-2-[[(2R)-2-amino-3-phenyl-propyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoylamino]acetic acid Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CNC(=O)C(CS)NC(=O)NCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](CNC(=O)[C@H](CS)NC(=O)NCC(=O)O)N

InChI

InChI=1S/C15H22N4O4S/c16-11(6-10-4-2-1-3-5-10)7-17-14(22)12(9-24)19-15(23)18-8-13(20)21/h1-5,11-12,24H,6-9,16H2,(H,17,22)(H,20,21)(H2,18,19,23)/t11-,12+/m1/s1