N-[4-[[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]methyl-[[3-methyl-2-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]butanoyl]amino]amino]-2-oxidanyl-1-phenyl-butyl]-3-methyl-2-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]butanamide

Systemtic Name: N-[4-[[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]methyl-[[3-methyl-2-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]butanoyl]amino]amino]-2-oxidanyl-1-phenyl-butyl]-3-methyl-2-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]butanamide Openeye Name: N-[4-[[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]methyl-[[3-methyl-2-[[methyl(2-morpholinoethyl)carbamoyl]amino]butanoyl]amino]amino]-2-hydroxy-1-phenyl-butyl]-3-methyl-2-[[methyl(2-morpholinoethyl)carbamoyl]amino]butanamide CAS Name: N-[4-[[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]methyl-[[3-methyl-2-[[[methyl-[2-(4-morpholinyl)ethyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]amino]-2-hydroxy-1-phenylbutyl]-3-methyl-2-[[[methyl-[2-(4-morpholinyl)ethyl]amino]-oxomethyl]amino]butanamide IUPAC Name: N-[4-[[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]methyl-[[3-methyl-2-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]butanoyl]amino]amino]-2-hydroxy-1-phenylbutyl]-3-methyl-2-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]butanamide Traditional Name: N-[2-hydroxy-4-[[[3-methyl-2-[[methyl(2-morpholinoethyl)carbamoyl]amino]butanoyl]amino]-(4-veratryloxybenzyl)amino]-1-phenyl-butyl]-3-methyl-2-[[methyl(2-morpholinoethyl)carbamoyl]amino]butyramide Formula: C52H79N9O10 MolecularWeight: 990.23796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C1=CC=CC=C1)C(CCN(CC2=CC=C(C=C2)OCC3=CC(=C(C=C3)OC)OC)NC(=O)C(C(C)C)NC(=O)N(C)CCN4CCOCC4)O)NC(=O)N(C)CCN5CCOCC5

Isomeric SMILES

CC(C)C(C(=O)NC(C1=CC=CC=C1)C(CCN(CC2=CC=C(C=C2)OCC3=CC(=C(C=C3)OC)OC)NC(=O)C(C(C)C)NC(=O)N(C)CCN4CCOCC4)O)NC(=O)N(C)CCN5CCOCC5

InChI

InChI=1S/C52H79N9O10/c1-37(2)46(54-51(65)57(5)22-24-59-26-30-69-31-27-59)49(63)53-48(41-12-10-9-11-13-41)43(62)20-21-61(35-39-14-17-42(18-15-39)71-36-40-16-19-44(67-7)45(34-40)68-8)56-50(64)47(38(3)4)55-52(66)58(6)23-25-60-28-32-70-33-29-60/h9-19,34,37-38,43,46-48,62H,20-33,35-36H2,1-8H3,(H,53,63)(H,54,65)(H,55,66)(H,56,64)