2-azanyl-3-[[3-oxidanyl-3-oxidanylidene-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propyl]disulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[3-oxidanyl-3-oxidanylidene-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propyl]disulfanyl]propanoic acid Openeye Name: 2-amino-3-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-3-oxo-propyl]disulfanyl]propanoic acid CAS Name: 2-amino-3-[[3-hydroxy-3-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]disulfanyl]propanoic acid IUPAC Name: 2-amino-3-[[3-hydroxy-3-oxo-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propyl]disulfanyl]propanoic acid Traditional Name: 2-amino-3-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-3-keto-propyl]disulfanyl]propionic acid Formula: C16H21N3O7S2 MolecularWeight: 431.48384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(CSSCC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(CSSCC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C16H21N3O7S2/c17-11(14(21)22)8-27-28-9-12(15(23)24)19-13(20)6-18-16(25)26-7-10-4-2-1-3-5-10/h1-5,11-12H,6-9,17H2,(H,18,25)(H,19,20)(H,21,22)(H,23,24)