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

Systemtic Name: 2-azanyl-5-[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-[(4-bromophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-[(2-amino-2-oxo-ethyl)amino]-1-[(4-bromophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-[(2-amino-2-oxoethyl)amino]-3-[(4-bromophenyl)methylthio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-[(2-amino-2-oxoethyl)amino]-3-[(4-bromophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-[(2-amino-2-keto-ethyl)amino]-1-[[(4-bromobenzyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C17H23BrN4O5S MolecularWeight: 475.35732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(C(=O)NCC(=O)N)NC(=O)CCC(C(=O)O)N)Br

Isomeric SMILES

C1=CC(=CC=C1CSCC(C(=O)NCC(=O)N)NC(=O)CCC(C(=O)O)N)Br

InChI

InChI=1S/C17H23BrN4O5S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)21-7-14(20)23)22-15(24)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H2,20,23)(H,21,25)(H,22,24)(H,26,27)