[2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-3-phenyl-propyl] 4-ethanoylbenzoate

Systemtic Name: [2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-3-phenyl-propyl] 4-ethanoylbenzoate Openeye Name: [2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-3-phenyl-propyl] 4-acetylbenzoate CAS Name: 4-acetylbenzoic acid [2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-methylamino]-3-methoxy-5-methyl-1-oxoheptyl]-2-pyrrolidinyl]-3-methoxy-2-methyl-1-oxopropyl]amino]-3-phenylpropyl] ester IUPAC Name: [2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropyl] 4-acetylbenzoate Traditional Name: 4-acetylbenzoic acid [2-[[3-[1-[4-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methyl-propanoyl]amino]-3-phenyl-propyl] ester Formula: C49H75N5O9 MolecularWeight: 878.1479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)C(=O)C)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

Isomeric SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)C(=O)C)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

InChI

InChI=1S/C49H75N5O9/c1-14-32(6)44(53(11)48(59)42(30(2)3)51-47(58)43(31(4)5)52(9)10)40(61-12)28-41(56)54-26-18-21-39(54)45(62-13)33(7)46(57)50-38(27-35-19-16-15-17-20-35)29-63-49(60)37-24-22-36(23-25-37)34(8)55/h15-17,19-20,22-25,30-33,38-40,42-45H,14,18,21,26-29H2,1-13H3,(H,50,57)(H,51,58)