tert-butyl N-[[3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylmethylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-propan-2-yl-amino]carbamate

Systemtic Name: tert-butyl N-[[3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylmethylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-propan-2-yl-amino]carbamate Openeye Name: tert-butyl N-[[3-[[4-amino-4-oxo-2-(2-quinolylmethylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-isopropyl-amino]carbamate CAS Name: N-[[3-[[4-amino-1,4-dioxo-2-(2-quinolinylmethylamino)butyl]amino]-2-hydroxy-4-phenylbutyl]-propan-2-ylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[[4-amino-4-oxo-2-(quinolin-2-ylmethylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-propan-2-ylamino]carbamate Traditional Name: N-[[3-[[4-amino-4-keto-2-(2-quinolylmethylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-isopropyl-amino]carbamic acid tert-butyl ester Formula: C32H44N6O5 MolecularWeight: 592.72896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NCC2=NC3=CC=CC=C3C=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NCC2=NC3=CC=CC=C3C=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H44N6O5/c1-21(2)38(37-31(42)43-32(3,4)5)20-28(39)26(17-22-11-7-6-8-12-22)36-30(41)27(18-29(33)40)34-19-24-16-15-23-13-9-10-14-25(23)35-24/h6-16,21,26-28,34,39H,17-20H2,1-5H3,(H2,33,40)(H,36,41)(H,37,42)