tert-butyl 3-(aminomethyl)-4-[2-azanyl-3-[[7-azanyl-1-(4H-imidazol-4-yl)-4-methanoyl-5-oxidanyl-3-oxidanylidene-7-phenyl-heptan-2-yl]amino]-3-oxidanylidene-propyl]benzoate

Systemtic Name: tert-butyl 3-(aminomethyl)-4-[2-azanyl-3-[[7-azanyl-1-(4H-imidazol-4-yl)-4-methanoyl-5-oxidanyl-3-oxidanylidene-7-phenyl-heptan-2-yl]amino]-3-oxidanylidene-propyl]benzoate Openeye Name: tert-butyl 4-[2-amino-3-[[6-amino-3-formyl-4-hydroxy-1-(4H-imidazol-4-ylmethyl)-2-oxo-6-phenyl-hexyl]amino]-3-oxo-propyl]-3-(aminomethyl)benzoate CAS Name: 4-[2-amino-3-[[7-amino-4-formyl-5-hydroxy-1-(4H-imidazol-4-yl)-3-oxo-7-phenylheptan-2-yl]amino]-3-oxopropyl]-3-(aminomethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-amino-3-[[7-amino-4-formyl-5-hydroxy-1-(4H-imidazol-4-yl)-3-oxo-7-phenylheptan-2-yl]amino]-3-oxopropyl]-3-(aminomethyl)benzoate Traditional Name: 4-[2-amino-3-[[6-amino-3-formyl-4-hydroxy-1-(4H-imidazol-4-ylmethyl)-2-keto-6-phenyl-hexyl]amino]-3-keto-propyl]-3-(aminomethyl)benzoic acid tert-butyl ester Formula: C32H42N6O6 MolecularWeight: 606.71248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CC(C(=O)NC(CC2C=NC=N2)C(=O)C(C=O)C(CC(C3=CC=CC=C3)N)O)N)CN

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CC(C(=O)NC(CC2C=NC=N2)C(=O)C(C=O)C(CC(C3=CC=CC=C3)N)O)N)CN

InChI

InChI=1S/C32H42N6O6/c1-32(2,3)44-31(43)21-10-9-20(22(11-21)15-33)12-26(35)30(42)38-27(13-23-16-36-18-37-23)29(41)24(17-39)28(40)14-25(34)19-7-5-4-6-8-19/h4-11,16-18,23-28,40H,12-15,33-35H2,1-3H3,(H,38,42)