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CAS 120893-72-3 BOC-LYS(BOC)-GLY-OH molecular structure lightbox
CAS RN: 120893-72-3

BOC-LYS(BOC)-GLY-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS120893-72-3
  • Purity/Analytical Methods: >99.0%
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120893-72-3 / 2-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetic acid

SCHEMBL13702232 | 2-[2,6-bis(tert-butoxycarbonylamino)hexanoylamino]acetic acid

Standard CAS: 120893-72-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120893-72-3
Multi CAS
Yes
Molecular Formula
C18H33N3O7
Molecular Weight
403.500000
Exact Mass
403.231850
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)NCC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H33N3O7/c1-17(2,3)27-15(25)19-10-8-7-9-12(14(24)20-11-13(22)23)21-16(26)28-18(4,5)6/h12H,7-11H2,1-6H3,(H,19,25)(H,20,24)(H,21,26)(H,22,23)/t12-/m0/s1
InChIKey
RDJOFHONSQXHOC-LBPRGKRZSA-N
Synonyms
SCHEMBL13702232 2-[2,6-bis(tert-butoxycarbonylamino)hexanoylamino]acetic acid

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.78
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
101.89
TPSA
143.06

LogP / Solubility

WLOGP
1.78
MLOGP
1.59
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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