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CAS 916977-43-0 Peptide 5 molecular structure lightbox
CAS RN: 916977-43-0

Peptide 5

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 1mg / 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS916977-43-0
  • Purity/Analytical Methods: >99.0%
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916977-43-0 / (4S)-5-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

Standard CAS: 916977-43-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
916977-43-0
Multi CAS
Yes
Molecular Formula
C60H98N16O20S
Molecular Weight
1395.600000
Exact Mass
1394.686401
InChI
InChI=1S/C60H98N16O20S/c1-29(2)24-37(69-51(87)38(25-33-14-8-7-9-15-33)70-54(90)41(28-97)73-52(88)39(26-44(82)83)71-56(92)45(62)30(3)4)50(86)72-40(27-77)53(89)68-36(17-12-22-65-60(63)64)58(94)76-23-13-18-42(76)55(91)74-46(31(5)78)57(93)67-35(19-20-43(80)81)48(84)66-34(16-10-11-21-61)49(85)75-47(32(6)79)59(95)96/h7-9,14-15,29-32,34-42,45-47,77-79,97H,10-13,16-28,61-62H2,1-6H3,(H,66,84)(H,67,93)(H,68,89)(H,69,87)(H,70,90)(H,71,92)(H,72,86)(H,73,88)(H,74,91)(H,75,85)(H,80,81)(H,82,83)(H,95,96)(H4,63,64,65)/t31-,32-,34+,35+,36+,37+,38+,39+,40+,41+,42+,45+,46+,47+/m1/s1
InChIKey
RJEAEIUDNCLZNN-VUZGFOMDSA-N

Computed Properties

Structural Parameters

Heavy atom count
97
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
44
H-bond acceptors
21
H-bond donors
21
Molar refractivity
350.33
TPSA
600.34

LogP / Solubility

WLOGP
-6.61
MLOGP
-5.68
XLogP3
-9.1
Consensus LogP
-7.13
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
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)
-15.93

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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