4-azanyl-5-[[6-azanyl-1-[[3-(1H-indol-3-yl)-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[6-azanyl-1-[[3-(1H-indol-3-yl)-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[5-amino-1-[[2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[6-amino-1-[[1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[6-amino-1-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[5-amino-1-[[2-[[1-carboxy-3-(methylthio)propyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C27H40N6O7S MolecularWeight: 592.7075

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C27H40N6O7S/c1-41-13-11-21(27(39)40)32-26(38)22(14-16-15-30-19-7-3-2-6-17(16)19)33-25(37)20(8-4-5-12-28)31-24(36)18(29)9-10-23(34)35/h2-3,6-7,15,18,20-22,30H,4-5,8-14,28-29H2,1H3,(H,31,36)(H,32,38)(H,33,37)(H,34,35)(H,39,40)