2-[[bis(butan-2-ylsulfanyl)-phosphono-methyl]-phenylmethoxycarbonyl-amino]butanoic acid

Systemtic Name: 2-[[bis(butan-2-ylsulfanyl)-phosphono-methyl]-phenylmethoxycarbonyl-amino]butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[phosphono-bis(sec-butylsulfanyl)methyl]amino]butanoic acid CAS Name: 2-[[bis(butan-2-ylthio)-phosphonomethyl]-phenylmethoxycarbonylamino]butanoic acid IUPAC Name: 2-[[bis(butan-2-ylsulfanyl)-phosphonomethyl]-phenylmethoxycarbonylamino]butanoic acid Traditional Name: 2-[carbobenzoxy-[phosphono-bis(sec-butylthio)methyl]amino]butyric acid Formula: C21H34NO7PS2 MolecularWeight: 507.600921

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC(N(C(CC)C(=O)O)C(=O)OCC1=CC=CC=C1)(P(=O)(O)O)SC(C)CC

Isomeric SMILES

CCC(C)SC(N(C(CC)C(=O)O)C(=O)OCC1=CC=CC=C1)(P(=O)(O)O)SC(C)CC

InChI

InChI=1S/C21H34NO7PS2/c1-6-15(4)31-21(30(26,27)28,32-16(5)7-2)22(18(8-3)19(23)24)20(25)29-14-17-12-10-9-11-13-17/h9-13,15-16,18H,6-8,14H2,1-5H3,(H,23,24)(H2,26,27,28)