tert-butyl N-[1-[[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]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[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]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[6-amino-3-[(2-amino-3-methyl-pentanoyl)-(2-pyridylmethyl)carbamoyl]-1-butyl-5-hydroxy-3-isopropyl-8-methyl-2-oxo-nonyl]amino]-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[[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]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[10-amino-7-[(2-amino-3-methylpentanoyl)-(pyridin-2-ylmethyl)carbamoyl]-9-hydroxy-12-methyl-6-oxo-7-propan-2-yltridecan-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[2-[[6-amino-3-[(2-amino-3-methyl-pentanoyl)-(2-pyridylmethyl)carbamoyl]-1-butyl-5-hydroxy-3-isopropyl-2-keto-8-methyl-nonyl]amino]-1-benzyl-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C44H70N6O7 MolecularWeight: 795.0626

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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)C(CC2=CC=CC=C2)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)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C44H70N6O7/c1-11-13-22-34(48-39(53)35(25-31-19-15-14-16-20-31)49-42(56)57-43(8,9)10)38(52)44(29(5)6,26-36(51)33(45)24-28(3)4)41(55)50(27-32-21-17-18-23-47-32)40(54)37(46)30(7)12-2/h14-21,23,28-30,33-37,51H,11-13,22,24-27,45-46H2,1-10H3,(H,48,53)(H,49,56)