2-azanyl-2-[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-methylsulfanyl-3-oxidanyl-4-oxidanylidene-heptanoic acid

Systemtic Name: 2-azanyl-2-[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-methylsulfanyl-3-oxidanyl-4-oxidanylidene-heptanoic acid Openeye Name: 2-amino-5-(tert-butoxycarbonylamino)-2-(2,4-diamino-4-oxo-butanoyl)-3-hydroxy-3-methyl-7-methylsulfanyl-4-oxo-heptanoic acid CAS Name: 2-amino-2-(2,4-diamino-1,4-dioxobutyl)-3-hydroxy-3-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-(methylthio)-4-oxoheptanoic acid IUPAC Name: 2-amino-2-(2,4-diamino-4-oxobutanoyl)-3-hydroxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-methylsulfanyl-4-oxoheptanoic acid Traditional Name: 2-amino-5-(tert-butoxycarbonylamino)-2-(2,4-diamino-4-keto-butanoyl)-3-hydroxy-4-keto-3-methyl-7-(methylthio)enanthic acid Formula: C18H32N4O8S MolecularWeight: 464.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)C(C)(C(C(=O)C(CC(=O)N)N)(C(=O)O)N)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)C(C)(C(C(=O)C(CC(=O)N)N)(C(=O)O)N)O

InChI

InChI=1S/C18H32N4O8S/c1-16(2,3)30-15(28)22-10(6-7-31-5)13(25)17(4,29)18(21,14(26)27)12(24)9(19)8-11(20)23/h9-10,29H,6-8,19,21H2,1-5H3,(H2,20,23)(H,22,28)(H,26,27)