tert-butyl N-[(2S)-5-azanyl-1-[[(2R)-3-(1-methanoylindol-3-yl)-1-oxidanylidene-1-[[(2S)-3-oxidanylidene-1,5-diphenyl-pentan-2-yl]amino]propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-5-azanyl-1-[[(2R)-3-(1-methanoylindol-3-yl)-1-oxidanylidene-1-[[(2S)-3-oxidanylidene-1,5-diphenyl-pentan-2-yl]amino]propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-4-amino-1-[[(1R)-2-[[(1S)-1-benzyl-2-oxo-4-phenyl-butyl]amino]-1-[(1-formylindol-3-yl)methyl]-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamate CAS Name: N-[(2S)-5-amino-1-[[(2R)-3-(1-formyl-3-indolyl)-1-oxo-1-[[(2S)-3-oxo-1,5-diphenylpentan-2-yl]amino]propan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-5-amino-1-[[(2R)-3-(1-formylindol-3-yl)-1-oxo-1-[[(2S)-3-oxo-1,5-diphenylpentan-2-yl]amino]propan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate Traditional Name: N-[(1S)-4-amino-1-[[(1R)-2-[[(1S)-1-benzyl-2-keto-4-phenyl-butyl]amino]-1-[(1-formylindol-3-yl)methyl]-2-keto-ethyl]carbamoyl]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C39H45N5O7 MolecularWeight: 695.8039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)N)C(=O)NC(CC1=CN(C2=CC=CC=C21)C=O)C(=O)NC(CC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CC1=CN(C2=CC=CC=C21)C=O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C39H45N5O7/c1-39(2,3)51-38(50)43-30(19-21-35(40)47)36(48)42-32(23-28-24-44(25-45)33-17-11-10-16-29(28)33)37(49)41-31(22-27-14-8-5-9-15-27)34(46)20-18-26-12-6-4-7-13-26/h4-17,24-25,30-32H,18-23H2,1-3H3,(H2,40,47)(H,41,49)(H,42,48)(H,43,50)/t30-,31-,32+/m0/s1