CAS RN: 60675-77-6
Big Gastrin I Human
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| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250314 | 100μg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS60675-77-6
- Purity/Analytical Methods: >99.0%
60675-77-6 / (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Basic Information
CAS
60675-77-6
Multi CAS
Yes
Molecular Formula
C176H251N43O53S
Molecular Weight
3849.000000
Exact Mass
3847.802166
InChI
InChI=1S/C176H251N43O53S/c1-89(2)70-117(206-157(253)109-47-55-134(224)192-109)152(248)188-85-137(227)215-64-23-36-127(215)170(266)203-108(46-54-133(180)223)151(247)187-86-138(228)217-66-27-40-131(217)176(272)219-68-26-39-130(219)172(268)211-123(77-99-82-182-88-189-99)166(262)208-119(72-91(5)6)168(264)214-146(92(7)8)174(270)191-94(10)149(245)212-125(79-145(241)242)175(271)218-67-25-38-129(218)173(269)213-126(87-220)169(265)195-106(35-20-22-63-178)155(251)194-105(34-19-21-62-177)156(252)196-107(45-53-132(179)222)150(246)186-84-136(226)216-65-24-37-128(216)171(267)210-122(76-98-81-184-104-33-18-16-31-102(98)104)165(261)207-118(71-90(3)4)163(259)201-114(52-60-143(237)238)161(257)200-113(51-59-142(235)236)160(256)199-112(50-58-141(233)234)159(255)198-111(49-57-140(231)232)158(254)197-110(48-56-139(229)230)154(250)190-93(9)148(244)205-120(74-96-41-43-100(221)44-42-96)153(249)185-83-135(225)193-121(75-97-80-183-103-32-17-15-30-101(97)103)164(260)202-115(61-69-273-11)162(258)209-124(78-144(239)240)167(263)204-116(147(181)243)73-95-28-13-12-14-29-95/h12-18,28-33,41-44,80-82,88-94,105-131,146,183-184,220-221H,19-27,34-40,45-79,83-87,177-178H2,1-11H3,(H2,179,222)(H2,180,223)(H2,181,243)(H,182,189)(H,185,249)(H,186,246)(H,187,247)(H,188,248)(H,190,250)(H,191,270)(H,192,224)(H,193,225)(H,194,251)(H,195,265)(H,196,252)(H,197,254)(H,198,255)(H,199,256)(H,200,257)(H,201,259)(H,202,260)(H,203,266)(H,204,263)(H,205,244)(H,206,253)(H,207,261)(H,208,262)(H,209,258)(H,210,267)(H,211,268)(H,212,245)(H,213,269)(H,214,264)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)/t93-,94-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,146-/m0/s1
InChIKey
DKONFPYEAKZHHO-JCVYGFDXSA-N
Computed Properties
Structural Parameters
Heavy atom count
273
Aromatic heavy atom count
35
Fraction Csp3
0.57
Rotatable bonds
116
H-bond acceptors
50
H-bond donors
46
Molar refractivity
966.82
TPSA
1488.58
LogP / Solubility
WLOGP
-10.95
MLOGP
-9.2
XLogP3
-11
Consensus LogP
-10.38
Log S (ESOL)
-9.25
Class (ESOL)
Insoluble
Log S (Ali)
-23.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-29.51
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)
-33.97
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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