tert-butyl N-[(2S)-5-azanyl-1-[[(2R)-3-(1-methanoylindol-3-yl)-1-[[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-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-[[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-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-[benzyl(methyl)amino]-2-oxo-ethyl]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-[[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1-formylindol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate Traditional Name: N-[(1S)-4-amino-1-[[(1R)-2-[[(1S)-1-benzyl-2-[benzyl(methyl)amino]-2-keto-ethyl]amino]-1-[(1-formylindol-3-yl)methyl]-2-keto-ethyl]carbamoyl]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C39H46N6O7 MolecularWeight: 710.81854

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)N(C)CC4=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)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C39H46N6O7/c1-39(2,3)52-38(51)43-30(19-20-34(40)47)35(48)41-31(22-28-24-45(25-46)33-18-12-11-17-29(28)33)36(49)42-32(21-26-13-7-5-8-14-26)37(50)44(4)23-27-15-9-6-10-16-27/h5-18,24-25,30-32H,19-23H2,1-4H3,(H2,40,47)(H,41,48)(H,42,49)(H,43,51)/t30-,31+,32-/m0/s1