3-azanyl-4-[[1-[[3-(1H-indol-3-yl)-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-[[3-(1H-indol-3-yl)-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[2-[[1-carboxy-3-(methylthio)propyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C25H35N5O7S MolecularWeight: 549.6397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C25H35N5O7S/c1-13(2)21(30-22(33)16(26)11-20(31)32)24(35)29-19(23(34)28-18(25(36)37)8-9-38-3)10-14-12-27-17-7-5-4-6-15(14)17/h4-7,12-13,16,18-19,21,27H,8-11,26H2,1-3H3,(H,28,34)(H,29,35)(H,30,33)(H,31,32)(H,36,37)