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CAS 330936-70-4 (GLY14)-HUMANIN (HUMAN) molecular structure lightbox
CAS RN: 330936-70-4

(GLY14)-HUMANIN (HUMAN)

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Batchno.20250318 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS330936-70-4
  • Purity/Analytical Methods: >99.0%
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330936-70-4 / (4S)-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxyethyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-oxopentanoic acid

Standard CAS: 330936-70-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
330936-70-4
Multi CAS
Yes
Molecular Formula
C118H202N34O31S2
Molecular Weight
2657.200000
Exact Mass
2656.475023
InChI
InChI=1S/C118H202N34O31S2/c1-19-65(14)92(112(179)144-81(54-90(159)160)104(171)145-82(52-63(10)11)114(181)152-46-29-37-86(152)109(176)148-91(64(12)13)111(178)139-72(32-23-24-41-119)97(164)137-74(35-27-44-129-118(125)126)98(165)136-73(34-26-43-128-117(123)124)96(163)133-67(16)115(182)183)149-99(166)75(38-39-89(157)158)134-87(155)56-131-110(177)93(68(17)154)150-105(172)79(51-62(8)9)142-101(168)77(49-60(4)5)140-100(167)76(48-59(2)3)141-102(169)78(50-61(6)7)143-107(174)84(58-184)147-106(173)83(57-153)146-103(170)80(53-69-30-21-20-22-31-69)135-88(156)55-130-95(162)71(33-25-42-127-116(121)122)138-108(175)85-36-28-45-151(85)113(180)66(15)132-94(161)70(120)40-47-185-18/h20-22,30-31,59-68,70-86,91-93,153-154,184H,19,23-29,32-58,119-120H2,1-18H3,(H,130,162)(H,131,177)(H,132,161)(H,133,163)(H,134,155)(H,135,156)(H,136,165)(H,137,164)(H,138,175)(H,139,178)(H,140,167)(H,141,169)(H,142,168)(H,143,174)(H,144,179)(H,145,171)(H,146,170)(H,147,173)(H,148,176)(H,149,166)(H,150,172)(H,157,158)(H,159,160)(H,182,183)(H4,121,122,127)(H4,123,124,128)(H4,125,126,129)/t65-,66-,67-,68+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,91-,92-,93-/m0/s1
InChIKey
WUYRHUFIUFJVQU-XJUNAYMOSA-N

Computed Properties

Structural Parameters

Heavy atom count
185
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
87
H-bond acceptors
35
H-bond donors
38
Molar refractivity
685.94
TPSA
1041.82

LogP / Solubility

WLOGP
-7.65
MLOGP
-6.43
XLogP3
-6
Consensus LogP
-6.69
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-15.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.03
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)
-24.36

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

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