tert-butyl 3-[2-[[(3S,4R)-4-ethyl-4-methanoyl-3-methoxy-6-oxidanylidene-heptanoyl]amino]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[[(3S,4R)-4-ethyl-4-methanoyl-3-methoxy-6-oxidanylidene-heptanoyl]amino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-[[(3S,4R)-4-ethyl-4-formyl-3-methoxy-6-oxo-heptanoyl]amino]ethyl]indole-1-carboxylate CAS Name: 3-[2-[[(3S,4R)-4-ethyl-4-formyl-3-methoxy-1,6-dioxoheptyl]amino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[[(3S,4R)-4-ethyl-4-formyl-3-methoxy-6-oxoheptanoyl]amino]ethyl]indole-1-carboxylate Traditional Name: 3-[2-[[(3S,4R)-4-ethyl-4-formyl-6-keto-3-methoxy-heptanoyl]amino]ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H36N2O6 MolecularWeight: 472.57384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C)(C=O)C(CC(=O)NCCC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CC[C@](CC(=O)C)(C=O)[C@H](CC(=O)NCCC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C26H36N2O6/c1-7-26(17-29,15-18(2)30)22(33-6)14-23(31)27-13-12-19-16-28(24(32)34-25(3,4)5)21-11-9-8-10-20(19)21/h8-11,16-17,22H,7,12-15H2,1-6H3,(H,27,31)/t22-,26-/m0/s1