[3-methoxy-2-[methyl-[[4-[[(2E,4E,6E,8Z)-10-[[(4Z,6Z,8E)-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)-3-propanoyloxy-deca-4,6,8-trienoyl]amino]deca-2,4,6,8-tetraenoyl]amino]-1,3-dioxolan-4-yl]carbonyl]amino]butyl] propanoate

Systemtic Name: [3-methoxy-2-[methyl-[[4-[[(2E,4E,6E,8Z)-10-[[(4Z,6Z,8E)-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)-3-propanoyloxy-deca-4,6,8-trienoyl]amino]deca-2,4,6,8-tetraenoyl]amino]-1,3-dioxolan-4-yl]carbonyl]amino]butyl] propanoate Openeye Name: [3-methoxy-2-[methyl-[4-[[(2E,4E,6E,8Z)-10-[[(4Z,6Z,8E)-2,2,4-trimethyl-10-oxazol-5-yl-3-propanoyloxy-deca-4,6,8-trienoyl]amino]deca-2,4,6,8-tetraenoyl]amino]-1,3-dioxolane-4-carbonyl]amino]butyl] propanoate CAS Name: propanoic acid [3-methoxy-2-[methyl-[oxo-[4-[[(2E,4E,6E,8Z)-1-oxo-10-[[(4Z,6Z,8E)-2,2,4-trimethyl-10-(5-oxazolyl)-1-oxo-3-(1-oxopropoxy)deca-4,6,8-trienyl]amino]deca-2,4,6,8-tetraenyl]amino]-1,3-dioxolan-4-yl]methyl]amino]butyl] ester IUPAC Name: [3-methoxy-2-[methyl-[4-[[(2E,4E,6E,8Z)-10-[[(4Z,6Z,8E)-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)-3-propanoyloxydeca-4,6,8-trienoyl]amino]deca-2,4,6,8-tetraenoyl]amino]-1,3-dioxolane-4-carbonyl]amino]butyl] propanoate Traditional Name: propionic acid [3-methoxy-2-[methyl-[4-[[(2E,4E,6E,8Z)-10-[[(4Z,6Z,8E)-2,2,4-trimethyl-10-oxazol-5-yl-3-propionyloxy-deca-4,6,8-trienoyl]amino]deca-2,4,6,8-tetraenoyl]amino]-1,3-dioxolane-4-carbonyl]amino]butyl] ester Formula: C42H58N4O11 MolecularWeight: 794.93012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(C(C)OC)N(C)C(=O)C1(COCO1)NC(=O)C=CC=CC=CC=CCNC(=O)C(C)(C)C(C(=CC=CC=CCC2=CN=CO2)C)OC(=O)CC

Isomeric SMILES

CCC(=O)OCC(C(C)OC)N(C)C(=O)C1(COCO1)NC(=O)/C=C/C=C/C=C/C=C\CNC(=O)C(C)(C)C(/C(=C\C=C/C=C/CC2=CN=CO2)/C)OC(=O)CC

InChI

InChI=1S/C42H58N4O11/c1-9-36(48)54-27-34(32(4)52-8)46(7)40(51)42(28-53-30-56-42)45-35(47)24-20-14-12-11-13-17-21-25-44-39(50)41(5,6)38(57-37(49)10-2)31(3)22-18-15-16-19-23-33-26-43-29-55-33/h11-22,24,26,29,32,34,38H,9-10,23,25,27-28,30H2,1-8H3,(H,44,50)(H,45,47)/b13-11+,14-12+,18-15-,19-16+,21-17-,24-20+,31-22-