2,2,2-tris(chloranyl)ethyl N-[[(3S,6S,7R)-6-(cyclohexylmethyl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-7-oxidanyl-4,8,14-tris(oxidanylidene)-1,9-dioxa-5-azacyclotetradec-10-yl]methyl]carbamate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl N-[[(3S,6S,7R)-6-(cyclohexylmethyl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-7-oxidanyl-4,8,14-tris(oxidanylidene)-1,9-dioxa-5-azacyclotetradec-10-yl]methyl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[[(3S,6S,7R)-6-(cyclohexylmethyl)-7-hydroxy-4,8,14-trioxo-10-[(2,2,2-trichloroethoxycarbonylamino)methyl]-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[[(3S,6S,7R)-6-(cyclohexylmethyl)-7-hydroxy-3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-10-yl]methyl]carbamic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl N-[[(3S,6S,7R)-6-(cyclohexylmethyl)-7-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-10-yl]methyl]carbamate Traditional Name: N-[1-benzyl-2-[[(3S,6S,7R)-6-(cyclohexylmethyl)-7-hydroxy-4,8,14-triketo-10-[(2,2,2-trichloroethoxycarbonylamino)methyl]-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C36H51Cl3N4O11 MolecularWeight: 822.16934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2COC(=O)CCCC(OC(=O)C(C(NC2=O)CC3CCCCC3)O)CNC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N[C@H]2COC(=O)CCCC(OC(=O)[C@@H]([C@@H](NC2=O)CC3CCCCC3)O)CNC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C36H51Cl3N4O11/c1-35(2,3)54-34(50)43-26(18-23-13-8-5-9-14-23)30(46)42-27-20-51-28(44)16-10-15-24(19-40-33(49)52-21-36(37,38)39)53-32(48)29(45)25(41-31(27)47)17-22-11-6-4-7-12-22/h5,8-9,13-14,22,24-27,29,45H,4,6-7,10-12,15-21H2,1-3H3,(H,40,49)(H,41,47)(H,42,46)(H,43,50)/t24?,25-,26?,27-,29+/m0/s1