tert-butyl N-[(2S,3S)-4-[[4-(2-tert-butyl-1,2,3,4-tetrazol-5-yl)phenyl]methyl-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S)-4-[[4-(2-tert-butyl-1,2,3,4-tetrazol-5-yl)phenyl]methyl-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S)-1-benzyl-3-[[4-(2-tert-butyltetrazol-5-yl)phenyl]methyl-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]amino]-2-hydroxy-propyl]carbamate CAS Name: N-[(2S)-1-[2-[[4-(2-tert-butyl-5-tetrazolyl)phenyl]methyl]-2-[(2S,3S)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-1-[2-[[4-(2-tert-butyltetrazol-5-yl)phenyl]methyl]-2-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-benzyl-3-[[4-(2-tert-butyltetrazol-5-yl)benzyl]-[[(2S)-2-(carbomethoxyamino)-3,3-dimethyl-butanoyl]amino]amino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C35H52N8O6 MolecularWeight: 680.83738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NN(CC1=CC=C(C=C1)C2=NN(N=N2)C(C)(C)C)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)NC(=O)OC

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)NN(CC1=CC=C(C=C1)C2=NN(N=N2)C(C)(C)C)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)NC(=O)OC

InChI

InChI=1S/C35H52N8O6/c1-33(2,3)28(37-31(46)48-10)30(45)40-42(21-24-16-18-25(19-17-24)29-38-41-43(39-29)34(4,5)6)22-27(44)26(20-23-14-12-11-13-15-23)36-32(47)49-35(7,8)9/h11-19,26-28,44H,20-22H2,1-10H3,(H,36,47)(H,37,46)(H,40,45)/t26-,27-,28+/m0/s1