tert-butyl N-[6-azanyl-1-[[1-(2-methanoylpyrrolidin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-5-(4-methylpiperidin-2-yl)-5-naphthalen-2-yl-1-oxidanylidene-hexan-2-yl]-N-[2-(2-azanylpropanoylamino)-3-methyl-pentanoyl]carbamate

Systemtic Name: tert-butyl N-[6-azanyl-1-[[1-(2-methanoylpyrrolidin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-5-(4-methylpiperidin-2-yl)-5-naphthalen-2-yl-1-oxidanylidene-hexan-2-yl]-N-[2-(2-azanylpropanoylamino)-3-methyl-pentanoyl]carbamate Openeye Name: tert-butyl N-[5-amino-1-[[1-benzyl-2-(2-formylpyrrolidin-1-yl)-2-oxo-ethyl]-methyl-carbamoyl]-4-(4-methyl-2-piperidyl)-4-(2-naphthyl)pentyl]-N-[2-(2-aminopropanoylamino)-3-methyl-pentanoyl]carbamate CAS Name: N-[6-amino-1-[[1-(2-formyl-1-pyrrolidinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-5-(4-methyl-2-piperidinyl)-5-(2-naphthalenyl)-1-oxohexan-2-yl]-N-[2-[(2-amino-1-oxopropyl)amino]-3-methyl-1-oxopentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-amino-1-[[1-(2-formylpyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-5-(4-methylpiperidin-2-yl)-5-naphthalen-2-yl-1-oxohexan-2-yl]-N-[2-(2-aminopropanoylamino)-3-methylpentanoyl]carbamate Traditional Name: N-[2-(alanylamino)-3-methyl-pentanoyl]-N-[5-amino-1-[[1-benzyl-2-(2-formylpyrrolidino)-2-keto-ethyl]-methyl-carbamoyl]-4-(4-methyl-2-piperidyl)-4-(2-naphthyl)pentyl]carbamic acid tert-butyl ester Formula: C51H73N7O7 MolecularWeight: 896.16802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C(CCC(CN)(C1CC(CCN1)C)C2=CC3=CC=CC=C3C=C2)C(=O)N(C)C(CC4=CC=CC=C4)C(=O)N5CCCC5C=O)C(=O)OC(C)(C)C)NC(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)N(C(CCC(CN)(C1CC(CCN1)C)C2=CC3=CC=CC=C3C=C2)C(=O)N(C)C(CC4=CC=CC=C4)C(=O)N5CCCC5C=O)C(=O)OC(C)(C)C)NC(=O)C(C)N

InChI

InChI=1S/C51H73N7O7/c1-9-34(3)44(55-45(60)35(4)53)48(63)58(49(64)65-50(5,6)7)41(46(61)56(8)42(29-36-16-11-10-12-17-36)47(62)57-27-15-20-40(57)31-59)23-25-51(32-52,43-28-33(2)24-26-54-43)39-22-21-37-18-13-14-19-38(37)30-39/h10-14,16-19,21-22,30-31,33-35,40-44,54H,9,15,20,23-29,32,52-53H2,1-8H3,(H,55,60)