N-[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[(1R)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[(1R)-2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]-2H-benzotriazole-5-carboxamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CS)NC(=O)C2=CC3=NNN=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CS)NC(=O)C2=CC3=NNN=C3C=C2

InChI

InChI=1S/C19H20N6O3S/c20-17(26)15(8-11-4-2-1-3-5-11)21-19(28)16(10-29)22-18(27)12-6-7-13-14(9-12)24-25-23-13/h1-7,9,15-16,29H,8,10H2,(H2,20,26)(H,21,28)(H,22,27)(H,23,24,25)/t15-,16-/m0/s1