tert-butyl N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-indol-1-yl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-indol-1-yl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-(indol-1-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1-indolyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-indol-1-yl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-1-(indol-1-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CN1C=CC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CN1C=CC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)28-20(16-29-14-13-18-11-7-8-12-21(18)29)23(31)27-19(22(26)30)15-17-9-5-4-6-10-17/h4-14,19-20H,15-16H2,1-3H3,(H2,26,30)(H,27,31)(H,28,32)/t19-,20-/m0/s1