[email protected]
CAS 122341-40-6 NEUROPEPTIDE Y (13-36), HUMAN, RAT molecular structure lightbox
CAS RN: 122341-40-6

NEUROPEPTIDE Y (13-36), HUMAN, RAT

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS122341-40-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

122341-40-6 / 5-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[1-[[1-[[5-amino-1-[[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxo-4-[2-(pyrrolidine-2-carbonylamino)propanoylamino]pentanoic acid

Standard CAS: 122341-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122341-40-6
Multi CAS
No
Molecular Formula
C134H207N41O36S
Molecular Weight
3000.400000
Exact Mass
2999.538168
SMILES
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CNC=N3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C6CCCN6
InChI
InChI=1S/C134H207N41O36S/c1-14-67(7)104(128(209)171-97(60-101(136)183)123(204)165-92(54-66(5)6)125(206)174-105(68(8)15-2)129(210)175-106(72(12)177)130(211)162-86(25-20-51-151-134(144)145)113(194)160-87(42-44-100(135)182)117(198)158-84(23-18-49-149-132(140)141)114(195)163-90(107(137)188)55-73-26-34-78(178)35-27-73)173-126(207)95(58-76-32-40-81(181)41-33-76)168-122(203)96(59-77-62-146-64-152-77)169-116(197)85(24-19-50-150-133(142)143)159-119(200)91(53-65(3)4)164-110(191)71(11)155-127(208)99(63-176)172-121(202)94(57-75-30-38-80(180)39-31-75)167-120(201)93(56-74-28-36-79(179)37-29-74)166-115(196)83(22-17-48-148-131(138)139)156-108(189)70(10)154-112(193)89(46-52-212-13)161-124(205)98(61-103(186)187)170-118(199)88(43-45-102(184)185)157-109(190)69(9)153-111(192)82-21-16-47-147-82/h26-41,62,64-72,82-99,104-106,147,176-181H,14-25,42-61,63H2,1-13H3,(H2,135,182)(H2,136,183)(H2,137,188)(H,146,152)(H,153,192)(H,154,193)(H,155,208)(H,156,189)(H,157,190)(H,158,198)(H,159,200)(H,160,194)(H,161,205)(H,162,211)(H,163,195)(H,164,191)(H,165,204)(H,166,196)(H,167,201)(H,168,203)(H,169,197)(H,170,199)(H,171,209)(H,172,202)(H,173,207)(H,174,206)(H,175,210)(H,184,185)(H,186,187)(H4,138,139,148)(H4,140,141,149)(H4,142,143,150)(H4,144,145,151)
InChIKey
WPVRWBQWAYQJSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
212
Aromatic heavy atom count
29
Fraction Csp3
0.56
Rotatable bonds
96
H-bond acceptors
41
H-bond donors
48
Molar refractivity
768.73
TPSA
1282.86

LogP / Solubility

WLOGP
-10.96
MLOGP
-9.31
XLogP3
-7.2
Consensus LogP
-9.16
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-16.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-28.81

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us