(2S,8S)-2,6,12-tris(azanyl)-8-[bis[(2S)-2,6-bis(azanyl)hexanoyl]amino]-N-[3-(dioctadecylamino)propyl]-7-oxidanylidene-dodecanamide

Systemtic Name: (2S,8S)-2,6,12-tris(azanyl)-8-[bis[(2S)-2,6-bis(azanyl)hexanoyl]amino]-N-[3-(dioctadecylamino)propyl]-7-oxidanylidene-dodecanamide Openeye Name: (2S,8S)-2,6,12-triamino-8-[bis[(2S)-2,6-diaminohexanoyl]amino]-N-[3-(dioctadecylamino)propyl]-7-oxo-dodecanamide CAS Name: (2S,8S)-2,6,12-triamino-8-[bis[(2S)-2,6-diamino-1-oxohexyl]amino]-N-[3-(dioctadecylamino)propyl]-7-oxododecanamide IUPAC Name: (2S,8S)-2,6,12-triamino-8-[bis[(2S)-2,6-diaminohexanoyl]amino]-N-[3-(dioctadecylamino)propyl]-7-oxododecanamide Traditional Name: (2S,8S)-2,6,12-triamino-8-[bis[(2S)-2,6-diaminohexanoyl]amino]-N-[3-(distearylamino)propyl]-7-keto-lauramide Formula: C63H130N10O4 MolecularWeight: 1091.7709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCNC(=O)C(CCCC(C(=O)C(CCCCN)N(C(=O)C(CCCCN)N)C(=O)C(CCCCN)N)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCNC(=O)[C@H](CCCC(C(=O)[C@H](CCCCN)N(C(=O)[C@H](CCCCN)N)C(=O)[C@H](CCCCN)N)N)N

InChI

InChI=1S/C63H130N10O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-52-72(53-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)54-42-51-71-61(75)56(68)46-41-45-55(67)60(74)59(47-35-38-50-66)73(62(76)57(69)43-33-36-48-64)63(77)58(70)44-34-37-49-65/h55-59H,3-54,64-70H2,1-2H3,(H,71,75)/t55?,56-,57-,58-,59-/m0/s1