tert-butyl N-[10-azanyl-7-[(2-azanyl-3-methyl-pentanoyl)-(pyridin-2-ylmethyl)carbamoyl]-12-methyl-9-oxidanyl-6-oxidanylidene-7-propan-2-yl-tridecan-5-yl]carbamate

Systemtic Name: tert-butyl N-[10-azanyl-7-[(2-azanyl-3-methyl-pentanoyl)-(pyridin-2-ylmethyl)carbamoyl]-12-methyl-9-oxidanyl-6-oxidanylidene-7-propan-2-yl-tridecan-5-yl]carbamate Openeye Name: tert-butyl N-[6-amino-3-[(2-amino-3-methyl-pentanoyl)-(2-pyridylmethyl)carbamoyl]-1-butyl-5-hydroxy-3-isopropyl-8-methyl-2-oxo-nonyl]carbamate CAS Name: N-[10-amino-7-[[(2-amino-3-methyl-1-oxopentyl)-(2-pyridinylmethyl)amino]-oxomethyl]-9-hydroxy-12-methyl-6-oxo-7-propan-2-yltridecan-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[10-amino-7-[(2-amino-3-methylpentanoyl)-(pyridin-2-ylmethyl)carbamoyl]-9-hydroxy-12-methyl-6-oxo-7-propan-2-yltridecan-5-yl]carbamate Traditional Name: N-[6-amino-3-[(2-amino-3-methyl-pentanoyl)-(2-pyridylmethyl)carbamoyl]-1-butyl-5-hydroxy-3-isopropyl-2-keto-8-methyl-nonyl]carbamic acid tert-butyl ester Formula: C35H61N5O6 MolecularWeight: 647.88874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(CC(C(CC(C)C)N)O)(C(C)C)C(=O)N(CC1=CC=CC=N1)C(=O)C(C(C)CC)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)C(CC(C(CC(C)C)N)O)(C(C)C)C(=O)N(CC1=CC=CC=N1)C(=O)C(C(C)CC)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H61N5O6/c1-11-13-17-27(39-33(45)46-34(8,9)10)30(42)35(23(5)6,20-28(41)26(36)19-22(3)4)32(44)40(21-25-16-14-15-18-38-25)31(43)29(37)24(7)12-2/h14-16,18,22-24,26-29,41H,11-13,17,19-21,36-37H2,1-10H3,(H,39,45)