CID 16186100
K-f-a-k-k-f-a-k-k-f-a-k-k-f-a-k-k-f-a-k-k-f-a-k-k-f-a-k-k-f-a-k
Structural Information
- Molecular Formula
- C192H306N48O33
- SMILES
- C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C192H306N48O33/c1-121(210-184(264)153(113-129-65-17-9-18-66-129)233-169(249)137(209)81-33-49-97-193)161(241)218-138(82-34-50-98-194)170(250)225-145(89-41-57-105-201)177(257)234-154(114-130-67-19-10-20-68-130)185(265)211-122(2)162(242)219-139(83-35-51-99-195)171(251)226-146(90-42-58-106-202)178(258)235-155(115-131-69-21-11-22-70-131)186(266)212-123(3)163(243)220-140(84-36-52-100-196)172(252)227-147(91-43-59-107-203)179(259)236-156(116-132-71-23-12-24-72-132)187(267)213-124(4)164(244)221-141(85-37-53-101-197)173(253)228-148(92-44-60-108-204)180(260)237-157(117-133-73-25-13-26-74-133)188(268)214-125(5)165(245)222-142(86-38-54-102-198)174(254)229-149(93-45-61-109-205)181(261)238-158(118-134-75-27-14-28-76-134)189(269)215-126(6)166(246)223-143(87-39-55-103-199)175(255)230-150(94-46-62-110-206)182(262)239-159(119-135-77-29-15-30-78-135)190(270)216-127(7)167(247)224-144(88-40-56-104-200)176(256)231-151(95-47-63-111-207)183(263)240-160(120-136-79-31-16-32-80-136)191(271)217-128(8)168(248)232-152(192(272)273)96-48-64-112-208/h9-32,65-80,121-128,137-160H,33-64,81-120,193-209H2,1-8H3,(H,210,264)(H,211,265)(H,212,266)(H,213,267)(H,214,268)(H,215,269)(H,216,270)(H,217,271)(H,218,241)(H,219,242)(H,220,243)(H,221,244)(H,222,245)(H,223,246)(H,224,247)(H,225,250)(H,226,251)(H,227,252)(H,228,253)(H,229,254)(H,230,255)(H,231,256)(H,232,248)(H,233,249)(H,234,257)(H,235,258)(H,236,259)(H,237,260)(H,238,261)(H,239,262)(H,240,263)(H,272,273)/t121-,122-,123-,124-,125-,126-,127-,128-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-/m0/s1
- InChIKey
- KUHZPGRCUZQBOC-JWPLZZEFSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3813.3816 | 302.6 |
[M+Na]+ | 3835.3635 | 293.3 |
[M-H]- | 3811.3670 | 299.7 |
[M+NH4]+ | 3830.4081 | 295.2 |
[M+K]+ | 3851.3375 | 293.1 |
[M+H-H2O]+ | 3795.3716 | 294.7 |
[M+HCOO]- | 3857.3725 | 293.1 |
[M+CH3COO]- | 3871.3882 | 292.3 |
[M+Na-2H]- | 3833.3490 | 304.1 |
[M]+ | 3812.3738 | 260.9 |
[M]- | 3812.3748 | 260.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.