2-[2-[[(2S)-6-azanyl-2-[bis[(2S)-6-azanyl-2-[bis[(2S)-2,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]dodecanoylamino]-N-(2-azanyl-2-oxidanylidene-ethyl)dodecanamide

Systemtic Name: 2-[2-[[(2S)-6-azanyl-2-[bis[(2S)-6-azanyl-2-[bis[(2S)-2,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]dodecanoylamino]-N-(2-azanyl-2-oxidanylidene-ethyl)dodecanamide Openeye Name: 2-[2-[[(2S)-6-amino-2-[bis[(2S)-6-amino-2-[bis[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]dodecanoylamino]-N-(2-amino-2-oxo-ethyl)dodecanamide CAS Name: 2-[[2-[[(2S)-6-amino-2-[bis[(2S)-6-amino-2-[bis[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxododecyl]amino]-N-(2-amino-2-oxoethyl)dodecanamide IUPAC Name: 2-[2-[[(2S)-6-amino-2-[bis[(2S)-6-amino-2-[bis[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]dodecanoylamino]-N-(2-amino-2-oxoethyl)dodecanamide Traditional Name: 2-[2-[[(2S)-6-amino-2-[bis[(2S)-6-amino-2-[bis[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]dodecanoylamino]-N-(2-amino-2-keto-ethyl)lauramide Formula: C68H136N18O10 MolecularWeight: 1365.92204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)NCC(=O)N)NC(=O)C(CCCCCCCCCC)NC(=O)C(CCCCN)N(C(=O)C(CCCCN)N(C(=O)C(CCCCN)N)C(=O)C(CCCCN)N)C(=O)C(CCCCN)N(C(=O)C(CCCCN)N)C(=O)C(CCCCN)N

Isomeric SMILES

CCCCCCCCCCC(C(=O)NC(CCCCCCCCCC)C(=O)NCC(=O)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@H](CCCCN)N(C(=O)[C@H](CCCCN)N)C(=O)[C@H](CCCCN)N)C(=O)[C@H](CCCCN)N(C(=O)[C@H](CCCCN)N)C(=O)[C@H](CCCCN)N

InChI

InChI=1S/C68H136N18O10/c1-3-5-7-9-11-13-15-17-37-54(60(88)81-49-59(80)87)82-61(89)55(38-18-16-14-12-10-8-6-4-2)83-62(90)56(39-23-30-46-73)84(67(95)57(40-24-31-47-74)85(63(91)50(76)33-19-26-42-69)64(92)51(77)34-20-27-43-70)68(96)58(41-25-32-48-75)86(65(93)52(78)35-21-28-44-71)66(94)53(79)36-22-29-45-72/h50-58H,3-49,69-79H2,1-2H3,(H2,80,87)(H,81,88)(H,82,89)(H,83,90)/t50-,51-,52-,53-,54?,55?,56-,57-,58-/m0/s1