(phenylmethyl) N-[(3S,6R,11R)-6-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-methyl-5,12-bis(oxidanylidene)-1-oxa-4-azacyclododec-8-en-11-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S,6R,11R)-6-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-methyl-5,12-bis(oxidanylidene)-1-oxa-4-azacyclododec-8-en-11-yl]carbamate Openeye Name: benzyl N-[(3S,6R,11R)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-oxo-ethyl]-3-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate CAS Name: N-[(3S,6R,11R)-6-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxoethyl]-3-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S,6R,11R)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-3-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate Traditional Name: N-[(3S,6R,11R)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-keto-ethyl]-5,12-diketo-3-methyl-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid benzyl ester Formula: C30H37N3O7 MolecularWeight: 551.63068

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(=O)C(CC=CCC(C(=O)N1)CC(=O)N(CCO)CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1COC(=O)[C@@H](CC=CC[C@@H](C(=O)N1)CC(=O)N(CCO)CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H37N3O7/c1-22-20-39-29(37)26(32-30(38)40-21-24-12-6-3-7-13-24)15-9-8-14-25(28(36)31-22)18-27(35)33(16-17-34)19-23-10-4-2-5-11-23/h2-13,22,25-26,34H,14-21H2,1H3,(H,31,36)(H,32,38)/t22-,25+,26+/m0/s1