tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-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-(1H-indol-3-yl)propanoylamino]-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)-1-benzyl-2-hydroxy-3-[[(2R,3S)-2-hydroxy-3-[[(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methyl-butanoyl]amino]-4-phenyl-butyl]amino]propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[[(2S)-2-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[[(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methylbutanoyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(2R,3S)-2-hydroxy-3-[[(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methyl-butanoyl]amino]-4-phenyl-butyl]amino]propyl]carbamic acid tert-butyl ester Formula: C41H55N5O6 MolecularWeight: 713.9053

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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)CCC3=CNC4=CC=CC=C43

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)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C41H55N5O6/c1-27(2)38(46-37(49)21-20-30-24-43-32-19-13-12-18-31(30)32)39(50)44-33(22-28-14-8-6-9-15-28)35(47)25-42-26-36(48)34(23-29-16-10-7-11-17-29)45-40(51)52-41(3,4)5/h6-19,24,27,33-36,38,42-43,47-48H,20-23,25-26H2,1-5H3,(H,44,50)(H,45,51)(H,46,49)/t33-,34-,35+,36+,38-/m0/s1