![CAS 1599440-20-6 Glycinamide, glycylglycyl-L-phenylalanyl-N-[(carboxymethoxy)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1599440-20-6.gif)
CAS RN: 1599440-20-6
Glycinamide, glycylglycyl-L-phenylalanyl-N-[(carboxymethoxy)methyl]-
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
- Product code: SSC-067932
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1599440-20-6 / 2-[[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]acetic acid
Basic Information
CAS
1599440-20-6
Multi CAS
No
Molecular Formula
C18H25N5O7
Molecular Weight
423.400000
Exact Mass
423.175398
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NCOCC(=O)O)NC(=O)CNC(=O)CN
InChI
InChI=1S/C18H25N5O7/c19-7-14(24)20-9-16(26)23-13(6-12-4-2-1-3-5-12)18(29)21-8-15(25)22-11-30-10-17(27)28/h1-5,13H,6-11,19H2,(H,20,24)(H,21,29)(H,22,25)(H,23,26)(H,27,28)/t13-/m0/s1
InChIKey
JKVPATHZQGMASP-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.39
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
6
Molar refractivity
103.75
TPSA
188.95
LogP / Solubility
WLOGP
-2.92
MLOGP
-2.54
XLogP3
-4.1
Consensus LogP
-3.19
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble
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)
-7.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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