tert-butyl (3R)-3-[[(2R)-2-[[(2S)-2-azanylpropanoyl]-methyl-amino]-3-(2-bromanyl-1H-indol-3-yl)propanoyl]amino]-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate

Systemtic Name: tert-butyl (3R)-3-[[(2R)-2-[[(2S)-2-azanylpropanoyl]-methyl-amino]-3-(2-bromanyl-1H-indol-3-yl)propanoyl]amino]-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate Openeye Name: tert-butyl (3R)-3-[[(2R)-2-[[(2S)-2-aminopropanoyl]-methyl-amino]-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate CAS Name: (3R)-3-[[(2R)-2-[[(2S)-2-amino-1-oxopropyl]-methylamino]-3-(2-bromo-1H-indol-3-yl)-1-oxopropyl]amino]-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[[(2R)-2-[[(2S)-2-aminopropanoyl]-methylamino]-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propanoate Traditional Name: (3R)-3-[[(2R)-2-[[(2S)-2-aminopropanoyl]-methyl-amino]-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propionic acid tert-butyl ester Formula: C34H49BrN4O5Si MolecularWeight: 701.76616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C(CC1=C(NC2=CC=CC=C21)Br)C(=O)NC(CC(=O)OC(C)(C)C)C3=CC=C(C=C3)O[Si](C)(C)C(C)(C)C)N

Isomeric SMILES

C[C@@H](C(=O)N(C)[C@H](CC1=C(NC2=CC=CC=C21)Br)C(=O)N[C@H](CC(=O)OC(C)(C)C)C3=CC=C(C=C3)O[Si](C)(C)C(C)(C)C)N

InChI

InChI=1S/C34H49BrN4O5Si/c1-21(36)32(42)39(8)28(19-25-24-13-11-12-14-26(24)37-30(25)35)31(41)38-27(20-29(40)43-33(2,3)4)22-15-17-23(18-16-22)44-45(9,10)34(5,6)7/h11-18,21,27-28,37H,19-20,36H2,1-10H3,(H,38,41)/t21-,27+,28+/m0/s1