D-VAL-LEU-LYS P-NITROANILIDE DIHYDROCHLORIDE CAS#: 62354-43-2; ChemWhat Code: 922361

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameD-VAL-LEU-LYS P-NITROANILIDE DIHYDROCHLORIDE
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-N-(4-nitrophenyl)hexanamide;dihydrochloride
Molecular StructureD-VAL-LEU-LYS-P-NITROANILIDE-DIHYDROCHLORIDE-CAS-62354-43-2
MDL Number
CAS Registry Number 62354-43-2
Synonyms62354-43-2
D-Val-Leu-Lys p-nitroanilide dihydrochloride
D-Val-Leu-Lys 4-nitroanilide dihydrochloride
CID 10370340
(S)-6-Amino-2-((S)-2-((R)-2-amino-3-methylbutanamido)-4-methylpentanamido)-N-(4-nitrophenyl)hexanamide dihydrochloride
D-Val-Leu-Lys-pNA (dihydrochloride)
(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-N-(4-nitrophenyl)hexanamide;dihydrochloride
L-Lysinamide, D-valyl-L-leucyl-N-(4-nitrophenyl)-, dihydrochloride
MFCD00077899
(2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-methylbutanamido]-4-methylpentanamido]-N-(4-nitrophenyl)hexanamide dihydrochloride
H-D-Val-Leu-Lys-pNA 2HCl
SCHEMBL3481900
H-D-Val-Leu-Lys-pNA.2 HCl
VESQMNNSPPEOSZ-ZLARAOTRSA-N
AS-75820
FV110747
PD166065
HY-131409
CS-0134245
G77879
D-Val-Leu-Lys 4-nitroanilide dihydrochloride, plasmin substrate
Molecular FormulaC23H40Cl2N6O5 
Molecular Weight551.5
InChIInChI=1S/C23H38N6O5.2ClH/c1-14(2)13-19(28-23(32)20(25)15(3)4)22(31)27-18(7-5-6-12-24)21(30)26-16-8-10-17(11-9-16)29(33)34;;/h8-11,14-15,18-20H,5-7,12-13,24-25H2,1-4H3,(H,26,30)(H,27,31)(H,28,32);2*1H/t18-,19-,20+;;/m0../s1
InChI KeyVESQMNNSPPEOSZ-ZLARAOTRSA-N
SMILESCC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@@H](C(C)C)N.Cl.Cl

Physical Data

AppearanceCrystalline solid

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

GHS Hazard StatementsNot Classified

Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

Other Data

TransportationLow temperature storage and transportation
StorageLow temperature storage and transportation
Shelf Life2 years
Druglikeness
Lipinski rules component
Molecular Weight551.514
logP2.463
HBA8
HBD5
Matching Lipinski Rules3
Veber rules component
Polar Surface Area (PSA)185.16
Rotatable Bond (RotB)17
Matching Veber Rules0

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