CID 16186118
K-f-k-k-f-k-k-f-k-k-f-k-k-f-k-k-f-k-k-f-k-k-f-k-k-f-k-k-f-k
Structural Information
- Molecular Formula
- C210H332N50O31
- SMILES
- C1=CC=C(C=C1)C[C@@H](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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CC=CC=C5)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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC9=CC=CC=C9)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](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C210H332N50O31/c211-111-51-31-91-151(231)181(261)251-171(131-141-71-11-1-12-72-141)200(280)241-152(92-32-52-112-212)182(262)232-161(101-41-61-121-221)191(271)252-172(132-142-73-13-2-14-74-142)201(281)242-153(93-33-53-113-213)183(263)233-162(102-42-62-122-222)192(272)253-173(133-143-75-15-3-16-76-143)202(282)243-154(94-34-54-114-214)184(264)234-163(103-43-63-123-223)193(273)254-174(134-144-77-17-4-18-78-144)203(283)244-155(95-35-55-115-215)185(265)235-164(104-44-64-124-224)194(274)255-175(135-145-79-19-5-20-80-145)204(284)245-156(96-36-56-116-216)186(266)236-165(105-45-65-125-225)195(275)256-176(136-146-81-21-6-22-82-146)205(285)246-157(97-37-57-117-217)187(267)237-166(106-46-66-126-226)196(276)257-177(137-147-83-23-7-24-84-147)206(286)247-158(98-38-58-118-218)188(268)238-167(107-47-67-127-227)197(277)258-178(138-148-85-25-8-26-86-148)207(287)248-159(99-39-59-119-219)189(269)239-168(108-48-68-128-228)198(278)259-179(139-149-87-27-9-28-88-149)208(288)249-160(100-40-60-120-220)190(270)240-169(109-49-69-129-229)199(279)260-180(140-150-89-29-10-30-90-150)209(289)250-170(210(290)291)110-50-70-130-230/h1-30,71-90,151-180H,31-70,91-140,211-231H2,(H,232,262)(H,233,263)(H,234,264)(H,235,265)(H,236,266)(H,237,267)(H,238,268)(H,239,269)(H,240,270)(H,241,280)(H,242,281)(H,243,282)(H,244,283)(H,245,284)(H,246,285)(H,247,286)(H,248,287)(H,249,288)(H,250,289)(H,251,261)(H,252,271)(H,253,272)(H,254,273)(H,255,274)(H,256,275)(H,257,276)(H,258,277)(H,259,278)(H,260,279)(H,290,291)/t151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-/m0/s1
- InChIKey
- DYEPVUGWGHFJPF-IBCHABRNSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4051.6013 | 260.0 |
[M+Na]+ | 4073.5832 | 253.2 |
[M-H]- | 4049.5867 | 258.0 |
[M+NH4]+ | 4068.6278 | 254.7 |
[M+K]+ | 4089.5572 | 253.8 |
[M+H-H2O]+ | 4033.5913 | 254.9 |
[M+HCOO]- | 4095.5922 | 254.0 |
[M+CH3COO]- | 4109.6079 | 254.4 |
[M+Na-2H]- | 4071.5687 | 265.8 |
[M]+ | 4050.5935 | 227.1 |
[M]- | 4050.5945 | 227.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.