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

Systemtic Name: tert-butyl N-[[3-[[2-azanyl-4-oxidanylidene-4-(pyridin-2-ylmethylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-propan-2-yl-amino]carbamate Openeye Name: tert-butyl N-[[3-[[2-amino-4-oxo-4-(2-pyridylmethylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-isopropyl-amino]carbamate CAS Name: N-[[3-[[2-amino-1,4-dioxo-4-(2-pyridinylmethylamino)butyl]amino]-2-hydroxy-4-phenylbutyl]-propan-2-ylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[[2-amino-4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-propan-2-ylamino]carbamate Traditional Name: N-[[3-[[2-amino-4-keto-4-(2-pyridylmethylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-isopropyl-amino]carbamic acid tert-butyl ester Formula: C28H42N6O5 MolecularWeight: 542.67028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)NCC2=CC=CC=N2)N)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)NCC2=CC=CC=N2)N)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H42N6O5/c1-19(2)34(33-27(38)39-28(3,4)5)18-24(35)23(15-20-11-7-6-8-12-20)32-26(37)22(29)16-25(36)31-17-21-13-9-10-14-30-21/h6-14,19,22-24,35H,15-18,29H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)