tert-butyl N-[7-azanyl-8-(cyclohexylmethyl)-12-methyl-3,9,10-tris(oxidanyl)-5-pent-4-enyl-1-phenyl-tridecan-2-yl]carbamate

Systemtic Name: tert-butyl N-[7-azanyl-8-(cyclohexylmethyl)-12-methyl-3,9,10-tris(oxidanyl)-5-pent-4-enyl-1-phenyl-tridecan-2-yl]carbamate Openeye Name: tert-butyl N-[6-amino-1-benzyl-7-(cyclohexylmethyl)-2,8,9-trihydroxy-11-methyl-4-pent-4-enyl-dodecyl]carbamate CAS Name: N-[7-amino-8-(cyclohexylmethyl)-3,9,10-trihydroxy-12-methyl-5-pent-4-enyl-1-phenyltridecan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-amino-8-(cyclohexylmethyl)-3,9,10-trihydroxy-12-methyl-5-pent-4-enyl-1-phenyltridecan-2-yl]carbamate Traditional Name: N-[4-[2-amino-3-(cyclohexylmethyl)-4,5-dihydroxy-7-methyl-octyl]-1-benzyl-2-hydroxy-non-8-enyl]carbamic acid tert-butyl ester Formula: C37H64N2O5 MolecularWeight: 616.91446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)C(CC(CCCC=C)CC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)N)O)O

Isomeric SMILES

CC(C)CC(C(C(CC1CCCCC1)C(CC(CCCC=C)CC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)N)O)O

InChI

InChI=1S/C37H64N2O5/c1-7-8-11-20-29(23-31(38)30(22-27-16-12-9-13-17-27)35(42)34(41)21-26(2)3)25-33(40)32(24-28-18-14-10-15-19-28)39-36(43)44-37(4,5)6/h7,10,14-15,18-19,26-27,29-35,40-42H,1,8-9,11-13,16-17,20-25,38H2,2-6H3,(H,39,43)