tert-butyl N-[1-[[(6R,7S,10S)-7-(cyclohexylmethyl)-6-oxidanyl-5,9,13-tris(oxidanylidene)-1,4-dioxa-8-azacyclotridec-10-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[(6R,7S,10S)-7-(cyclohexylmethyl)-6-oxidanyl-5,9,13-tris(oxidanylidene)-1,4-dioxa-8-azacyclotridec-10-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[[(6R,7S,10S)-7-(cyclohexylmethyl)-6-hydroxy-5,9,13-trioxo-1,4-dioxa-8-azacyclotridec-10-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[[(6R,7S,10S)-7-(cyclohexylmethyl)-6-hydroxy-5,9,13-trioxo-1,4-dioxa-8-azacyclotridec-10-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[(6R,7S,10S)-7-(cyclohexylmethyl)-6-hydroxy-5,9,13-trioxo-1,4-dioxa-8-azacyclotridec-10-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[[(6R,7S,10S)-7-(cyclohexylmethyl)-6-hydroxy-5,9,13-triketo-1,4-dioxa-8-azacyclotridec-10-yl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C31H45N3O9 MolecularWeight: 603.7037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCC(=O)OCCOC(=O)C(C(NC2=O)CC3CCCCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N[C@H]2CCC(=O)OCCOC(=O)[C@@H]([C@@H](NC2=O)CC3CCCCC3)O

InChI

InChI=1S/C31H45N3O9/c1-31(2,3)43-30(40)34-24(19-21-12-8-5-9-13-21)28(38)32-22-14-15-25(35)41-16-17-42-29(39)26(36)23(33-27(22)37)18-20-10-6-4-7-11-20/h5,8-9,12-13,20,22-24,26,36H,4,6-7,10-11,14-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t22-,23-,24?,26+/m0/s1