2-(3,3-dimethylbutanoylamino)ethyl N-[1-[[(3S,6S,7R,10R)-6-(cyclohexylmethyl)-10-(morpholin-4-ylmethyl)-7-oxidanyl-4,8,14-tris(oxidanylidene)-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: 2-(3,3-dimethylbutanoylamino)ethyl N-[1-[[(3S,6S,7R,10R)-6-(cyclohexylmethyl)-10-(morpholin-4-ylmethyl)-7-oxidanyl-4,8,14-tris(oxidanylidene)-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: 2-(3,3-dimethylbutanoylamino)ethyl N-[1-benzyl-2-[[(3S,6S,7R,10R)-6-(cyclohexylmethyl)-7-hydroxy-10-(morpholinomethyl)-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[[(3S,6S,7R,10R)-6-(cyclohexylmethyl)-7-hydroxy-10-(4-morpholinylmethyl)-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid 2-[(3,3-dimethyl-1-oxobutyl)amino]ethyl ester IUPAC Name: 2-(3,3-dimethylbutanoylamino)ethyl N-[1-[[(3S,6S,7R,10R)-6-(cyclohexylmethyl)-7-hydroxy-10-(morpholin-4-ylmethyl)-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[[(3S,6S,7R,10R)-6-(cyclohexylmethyl)-7-hydroxy-4,8,14-triketo-10-(morpholinomethyl)-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-2-keto-ethyl]carbamic acid 2-(3,3-dimethylbutanoylamino)ethyl ester Formula: C41H63N5O11 MolecularWeight: 801.96582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NCCOC(=O)NC(CC1=CC=CC=C1)C(=O)NC2COC(=O)CCCC(OC(=O)C(C(NC2=O)CC3CCCCC3)O)CN4CCOCC4

Isomeric SMILES

CC(C)(C)CC(=O)NCCOC(=O)NC(CC1=CC=CC=C1)C(=O)N[C@H]2COC(=O)CCC[C@@H](OC(=O)[C@@H]([C@@H](NC2=O)CC3CCCCC3)O)CN4CCOCC4

InChI

InChI=1S/C41H63N5O11/c1-41(2,3)25-34(47)42-17-20-55-40(53)45-32(24-29-13-8-5-9-14-29)37(50)44-33-27-56-35(48)16-10-15-30(26-46-18-21-54-22-19-46)57-39(52)36(49)31(43-38(33)51)23-28-11-6-4-7-12-28/h5,8-9,13-14,28,30-33,36,49H,4,6-7,10-12,15-27H2,1-3H3,(H,42,47)(H,43,51)(H,44,50)(H,45,53)/t30-,31+,32?,33+,36-/m1/s1