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

Systemtic Name: tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-2-[(3-azanyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-3-[[(2R,3S)-3-[[(2S)-2-[(3-amino-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-2-[(3-amino-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxobutyl]amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoyl]amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-3-[[(2R,3S)-3-[[(2S)-2-[(3-amino-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]amino]-1-benzyl-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C39H55N5O6 MolecularWeight: 689.8839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CNCC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)CC(C3=CC=CC=C3)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)CC(C3=CC=CC=C3)N

InChI

InChI=1S/C39H55N5O6/c1-26(2)36(44-35(47)23-30(40)29-19-13-8-14-20-29)37(48)42-31(21-27-15-9-6-10-16-27)33(45)24-41-25-34(46)32(22-28-17-11-7-12-18-28)43-38(49)50-39(3,4)5/h6-20,26,30-34,36,41,45-46H,21-25,40H2,1-5H3,(H,42,48)(H,43,49)(H,44,47)/t30?,31-,32-,33+,34+,36-/m0/s1