tert-butyl N-[(2S)-3-methyl-4-[[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-methyl-4-[[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-1-benzyl-3-[[(3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-2-methyl-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[[(3S)-2-hydroxy-2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(3S)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-3-[[(3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-2-methyl-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C31H47N3O6 MolecularWeight: 557.72138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CNCC(C)(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNCC(C)([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O

InChI

InChI=1S/C31H47N3O6/c1-29(2,3)39-27(36)33-24(18-22-14-10-8-11-15-22)25(35)20-32-21-31(7,38)26(19-23-16-12-9-13-17-23)34-28(37)40-30(4,5)6/h8-17,24-26,32,35,38H,18-21H2,1-7H3,(H,33,36)(H,34,37)/t24-,25+,26-,31?/m0/s1