tert-butyl 7-[4-(aminomethyl)-4-azanyl-6-(2-azanyl-3-methyl-butanoyl)-5-oxidanylidene-pyridin-3-yl]-7-oxidanylidene-3-phenyl-heptanoate

Systemtic Name: tert-butyl 7-[4-(aminomethyl)-4-azanyl-6-(2-azanyl-3-methyl-butanoyl)-5-oxidanylidene-pyridin-3-yl]-7-oxidanylidene-3-phenyl-heptanoate Openeye Name: tert-butyl 7-[4-amino-4-(aminomethyl)-6-(2-amino-3-methyl-butanoyl)-5-oxo-3-pyridyl]-7-oxo-3-phenyl-heptanoate CAS Name: 7-[4-amino-4-(aminomethyl)-6-(2-amino-3-methyl-1-oxobutyl)-5-oxo-3-pyridinyl]-7-oxo-3-phenylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[4-amino-4-(aminomethyl)-6-(2-amino-3-methylbutanoyl)-5-oxopyridin-3-yl]-7-oxo-3-phenylheptanoate Traditional Name: 7-[4-amino-4-(aminomethyl)-6-(2-amino-3-methyl-butanoyl)-5-keto-3-pyridyl]-7-keto-3-phenyl-enanthic acid tert-butyl ester Formula: C28H40N4O5 MolecularWeight: 512.641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC=C(C(C1=O)(CN)N)C(=O)CCCC(CC(=O)OC(C)(C)C)C2=CC=CC=C2)N

Isomeric SMILES

CC(C)C(C(=O)C1=NC=C(C(C1=O)(CN)N)C(=O)CCCC(CC(=O)OC(C)(C)C)C2=CC=CC=C2)N

InChI

InChI=1S/C28H40N4O5/c1-17(2)23(30)25(35)24-26(36)28(31,16-29)20(15-32-24)21(33)13-9-12-19(18-10-7-6-8-11-18)14-22(34)37-27(3,4)5/h6-8,10-11,15,17,19,23H,9,12-14,16,29-31H2,1-5H3