(phenylmethyl) N-[(3S,6R,11R)-3-tert-butyl-6-[2-[2-(2-hydroxyethyloxy)ethylamino]-2-oxidanylidene-ethyl]-5,12-bis(oxidanylidene)-1-oxa-4-azacyclododec-8-en-11-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S,6R,11R)-3-tert-butyl-6-[2-[2-(2-hydroxyethyloxy)ethylamino]-2-oxidanylidene-ethyl]-5,12-bis(oxidanylidene)-1-oxa-4-azacyclododec-8-en-11-yl]carbamate Openeye Name: benzyl N-[(3S,6R,11R)-3-tert-butyl-6-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-ethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate CAS Name: N-[(3S,6R,11R)-3-tert-butyl-6-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S,6R,11R)-3-tert-butyl-6-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate Traditional Name: N-[(3S,6R,11R)-3-tert-butyl-6-[2-[2-(2-hydroxyethoxy)ethylamino]-2-keto-ethyl]-5,12-diketo-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid benzyl ester Formula: C28H41N3O8 MolecularWeight: 547.64044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1COC(=O)C(CC=CCC(C(=O)N1)CC(=O)NCCOCCO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@H]1COC(=O)[C@@H](CC=CC[C@@H](C(=O)N1)CC(=O)NCCOCCO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H41N3O8/c1-28(2,3)23-19-38-26(35)22(30-27(36)39-18-20-9-5-4-6-10-20)12-8-7-11-21(25(34)31-23)17-24(33)29-13-15-37-16-14-32/h4-10,21-23,32H,11-19H2,1-3H3,(H,29,33)(H,30,36)(H,31,34)/t21-,22-,23-/m1/s1