CAS RN: 2426685-25-6
L-Lysine, L-serylglycyl-L-glutaminyl-L-tyrosyl-L-alanyl-L-seryl-L-tyrosyl-L-histidyl-L-cysteinyl-L-tryptophyl-L-cysteinyl-L-tryptophyl-L-arginyl-L-α-aspartyl-L-prolylglycyl-L-arginyl-L-serylglycylglycyl-L-seryl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250123 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2426685-25-6
- Purity/Analytical Methods: >99.0%
2426685-25-6 / (2S)-6-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
Basic Information
CAS
2426685-25-6
Multi CAS
No
Molecular Formula
C107H150N34O32S2
Molecular Weight
2488.700000
Exact Mass
2488.063036
SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N7CCC[C@H]7C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CO)N
InChI
InChI=1S/C107H150N34O32S2/c1-53(125-94(161)70(33-54-19-23-59(146)24-20-54)131-93(160)68(27-28-82(110)148)127-85(151)44-121-89(156)63(109)46-142)88(155)137-78(49-145)100(167)132-71(34-55-21-25-60(147)26-22-55)95(162)135-74(37-58-41-115-52-124-58)98(165)140-80(51-175)102(169)134-73(36-57-40-119-65-14-5-3-12-62(57)65)97(164)139-79(50-174)101(168)133-72(35-56-39-118-64-13-4-2-11-61(56)64)96(163)129-67(17-9-31-117-107(113)114)92(159)136-75(38-87(153)154)104(171)141-32-10-18-81(141)103(170)123-45-86(152)126-66(16-8-30-116-106(111)112)91(158)138-76(47-143)90(157)122-42-83(149)120-43-84(150)128-77(48-144)99(166)130-69(105(172)173)15-6-7-29-108/h2-5,11-14,19-26,39-41,52-53,63,66-81,118-119,142-147,174-175H,6-10,15-18,27-38,42-51,108-109H2,1H3,(H2,110,148)(H,115,124)(H,120,149)(H,121,156)(H,122,157)(H,123,170)(H,125,161)(H,126,152)(H,127,151)(H,128,150)(H,129,163)(H,130,166)(H,131,160)(H,132,167)(H,133,168)(H,134,169)(H,135,162)(H,136,159)(H,137,155)(H,138,158)(H,139,164)(H,140,165)(H,153,154)(H,172,173)(H4,111,112,116)(H4,113,114,117)/t53-,63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-/m0/s1
InChIKey
PZRZKAPXEZHQNM-LKDNPKTDSA-N
Computed Properties
Structural Parameters
Heavy atom count
175
Aromatic heavy atom count
35
Fraction Csp3
0.47
Rotatable bonds
75
H-bond acceptors
37
H-bond donors
42
Molar refractivity
626.81
TPSA
1077.48
LogP / Solubility
WLOGP
-13.83
MLOGP
-11.9
XLogP3
-14.5
Consensus LogP
-13.41
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-9.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.35
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)
-27.72
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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