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methyl 16-oxidanylidene-16-[4-(phenylmethoxycarbonylamino)butyl-[3-(phenylmethoxycarbonylamino)propyl]amino]hexadecanoate

methyl 16-oxidanylidene-16-[4-(phenylmethoxycarbonylamino)butyl-[3-(phenylmethoxycarbonylamino)propyl]amino]hexadecanoate

Systemtic Name:methyl 16-oxidanylidene-16-[4-(phenylmethoxycarbonylamino)butyl-[3-(phenylmethoxycarbonylamino)propyl]amino]hexadecanoate
Openeye Name:methyl 16-[4-(benzyloxycarbonylamino)butyl-[3-(benzyloxycarbonylamino)propyl]amino]-16-oxo-hexadecanoate
CAS Name:16-oxo-16-[4-(phenylmethoxycarbonylamino)butyl-[3-(phenylmethoxycarbonylamino)propyl]amino]hexadecanoic acid methyl ester
IUPAC Name:methyl 16-oxo-16-[4-(phenylmethoxycarbonylamino)butyl-[3-(phenylmethoxycarbonylamino)propyl]amino]hexadecanoate
Traditional Name:16-[4-(benzyloxycarbonylamino)butyl-[3-(benzyloxycarbonylamino)propyl]amino]-16-keto-palmitic acid methyl ester
Formula: C40H61N3O7
MolecularWeight: 695.92824
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCCCCC(=O)N(CCCCNC(=O)OCC1=CC=CC=C1)CCCNC(=O)OCC2=CC=CC=C2


Isomeric SMILES

COC(=O)CCCCCCCCCCCCCCC(=O)N(CCCCNC(=O)OCC1=CC=CC=C1)CCCNC(=O)OCC2=CC=CC=C2


InChI

InChI=1S/C40H61N3O7/c1-48-38(45)28-19-11-9-7-5-3-2-4-6-8-10-18-27-37(44)43(32-22-30-42-40(47)50-34-36-25-16-13-17-26-36)31-21-20-29-41-39(46)49-33-35-23-14-12-15-24-35/h12-17,23-26H,2-11,18-22,27-34H2,1H3,(H,41,46)(H,42,47)


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