tert-butyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-[4-(tert-butoxycarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[4-(tert-butoxycarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C33H44N4O6 MolecularWeight: 592.72566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C33H44N4O6/c1-32(2,3)42-30(40)27(19-22-13-8-7-9-14-22)37-29(39)26(20-23-21-35-25-16-11-10-15-24(23)25)36-28(38)17-12-18-34-31(41)43-33(4,5)6/h7-11,13-16,21,26-27,35H,12,17-20H2,1-6H3,(H,34,41)(H,36,38)(H,37,39)/t26-,27-/m0/s1