(phenylmethyl) 4-[[1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonyl-(1,1-dimethoxy-3-methyl-butan-2-yl)carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 4-[[1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonyl-(1,1-dimethoxy-3-methyl-butan-2-yl)carbamoyl]benzoate Openeye Name: benzyl 4-[[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]-[1-(dimethoxymethyl)-2-methyl-propyl]carbamoyl]benzoate CAS Name: 4-[[[[1-(2,6-diamino-1-oxohexyl)-2-pyrrolidinyl]-oxomethyl]-(1,1-dimethoxy-3-methylbutan-2-yl)amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]-(1,1-dimethoxy-3-methylbutan-2-yl)carbamoyl]benzoate Traditional Name: 4-[[1-(2,6-diaminohexanoyl)prolyl]-[1-(dimethoxymethyl)-2-methyl-propyl]carbamoyl]benzoic acid benzyl ester Formula: C33H46N4O7 MolecularWeight: 610.74094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(OC)OC)N(C(=O)C1CCCN1C(=O)C(CCCCN)N)C(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(OC)OC)N(C(=O)C1CCCN1C(=O)C(CCCCN)N)C(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H46N4O7/c1-22(2)28(33(42-3)43-4)37(31(40)27-14-10-20-36(27)30(39)26(35)13-8-9-19-34)29(38)24-15-17-25(18-16-24)32(41)44-21-23-11-6-5-7-12-23/h5-7,11-12,15-18,22,26-28,33H,8-10,13-14,19-21,34-35H2,1-4H3