tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-2-[[(2S)-2-azanylpropanoyl]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-[[(2S)-2-azanylpropanoyl]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-[[(2S)-2-aminopropanoyl]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-[[(2S)-2-amino-1-oxopropyl]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-[[(2S)-2-aminopropanoyl]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-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]amino]-1-benzyl-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C33H51N5O6 MolecularWeight: 613.78794

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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)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)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)N

InChI

InChI=1S/C33H51N5O6/c1-21(2)29(38-30(41)22(3)34)31(42)36-25(17-23-13-9-7-10-14-23)27(39)19-35-20-28(40)26(18-24-15-11-8-12-16-24)37-32(43)44-33(4,5)6/h7-16,21-22,25-29,35,39-40H,17-20,34H2,1-6H3,(H,36,42)(H,37,43)(H,38,41)/t22-,25-,26-,27+,28+,29-/m0/s1