5-[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-[(4-bromophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-[(4-bromophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 5-[[2-[(2-amino-2-oxo-ethyl)amino]-1-[(4-bromophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-2-(benzyloxycarbonylamino)-5-oxo-pentanoic acid CAS Name: 5-[[1-[(2-amino-2-oxoethyl)amino]-3-[(4-bromophenyl)methylthio]-1-oxopropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[[1-[(2-amino-2-oxoethyl)amino]-3-[(4-bromophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 5-[[2-[(2-amino-2-keto-ethyl)amino]-1-[[(4-bromobenzyl)thio]methyl]-2-keto-ethyl]amino]-2-(benzyloxycarbonylamino)-5-keto-valeric acid Formula: C25H29BrN4O7S MolecularWeight: 609.48936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)NC(CSCC2=CC=C(C=C2)Br)C(=O)NCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)NC(CSCC2=CC=C(C=C2)Br)C(=O)NCC(=O)N)C(=O)O

InChI

InChI=1S/C25H29BrN4O7S/c26-18-8-6-17(7-9-18)14-38-15-20(23(33)28-12-21(27)31)29-22(32)11-10-19(24(34)35)30-25(36)37-13-16-4-2-1-3-5-16/h1-9,19-20H,10-15H2,(H2,27,31)(H,28,33)(H,29,32)(H,30,36)(H,34,35)