(2S)-2-[[2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamothioylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamothioylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamothioylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamothioylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]thiocarbamoylamino]-3-phenyl-propionic acid Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)CNC(=S)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)CNC(=S)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H24N4O4S/c22-19(27)16(11-14-7-3-1-4-8-14)24-18(26)13-23-21(30)25-17(20(28)29)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H2,22,27)(H,24,26)(H,28,29)(H2,23,25,30)/t16-,17-/m0/s1