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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSSCC(C(=O)O)NC(=O)CN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSSCC(C(=O)O)NC(=O)CN)C(=O)O

InChI

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