2-azanyl-6-[(3-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)oxycarbonyl-[2-(4-butoxyphenyl)ethanoyl]amino]-7-oxidanylidene-heptanoic acid

Systemtic Name: 2-azanyl-6-[(3-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)oxycarbonyl-[2-(4-butoxyphenyl)ethanoyl]amino]-7-oxidanylidene-heptanoic acid Openeye Name: 2-amino-6-[(2-amino-3-hydroxy-1-methyl-3-oxo-propoxy)carbonyl-[2-(4-butoxyphenyl)acetyl]amino]-7-oxo-heptanoic acid CAS Name: 2-amino-6-[[(3-amino-4-hydroxy-4-oxobutan-2-yl)oxy-oxomethyl]-[2-(4-butoxyphenyl)-1-oxoethyl]amino]-7-oxoheptanoic acid IUPAC Name: 2-amino-6-[(3-amino-4-hydroxy-4-oxobutan-2-yl)oxycarbonyl-[2-(4-butoxyphenyl)acetyl]amino]-7-oxoheptanoic acid Traditional Name: 2-amino-6-[(2-amino-3-hydroxy-3-keto-1-methyl-propoxy)carbonyl-[2-(4-butoxyphenyl)acetyl]amino]-7-keto-enanthic acid Formula: C24H35N3O9 MolecularWeight: 509.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)N(C(CCCC(C(=O)O)N)C=O)C(=O)OC(C)C(C(=O)O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)N(C(CCCC(C(=O)O)N)C=O)C(=O)OC(C)C(C(=O)O)N

InChI

InChI=1S/C24H35N3O9/c1-3-4-12-35-18-10-8-16(9-11-18)13-20(29)27(24(34)36-15(2)21(26)23(32)33)17(14-28)6-5-7-19(25)22(30)31/h8-11,14-15,17,19,21H,3-7,12-13,25-26H2,1-2H3,(H,30,31)(H,32,33)