2-[[2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C26H35N5O9S MolecularWeight: 593.6492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O9S/c1-41-11-10-19(29-23(36)16(27)12-14-13-28-17-5-3-2-4-15(14)17)25(38)30-18(6-8-21(32)33)24(37)31-20(26(39)40)7-9-22(34)35/h2-5,13,16,18-20,28H,6-12,27H2,1H3,(H,29,36)(H,30,38)(H,31,37)(H,32,33)(H,34,35)(H,39,40)