2-[[2-[[5-azanyl-2-[(2-azanyl-4-methyl-pentanoyl)amino]-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-[[5-azanyl-2-[(2-azanyl-4-methyl-pentanoyl)amino]-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-[[5-amino-2-[(2-amino-4-methyl-pentanoyl)amino]-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[5-amino-2-[(2-amino-4-methyl-1-oxopentyl)amino]-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-[[5-amino-2-[(2-amino-4-methyl-pentanoyl)amino]-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C25H36N6O6S MolecularWeight: 548.65494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N6O6S/c1-13(2)9-16(26)22(33)29-18(7-8-21(27)32)23(34)31-20(12-38)24(35)30-19(25(36)37)10-14-11-28-17-6-4-3-5-15(14)17/h3-6,11,13,16,18-20,28,38H,7-10,12,26H2,1-2H3,(H2,27,32)(H,29,33)(H,30,35)(H,31,34)(H,36,37)