3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid

• ChemBase ID: 103537
• Molecular Formular: C40H53N5O10
• Molecular Mass: 763.87632
• Monoisotopic Mass: 763.37924292
• SMILES: CC(C)C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
• Canonical SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@@H](NC(=O)CCC(=O)O)CC(C)C)C
• InChI: InChI=1S/C40H53N5O10/c1-21(2)16-29(42-33(47)14-15-34(48)49)38(52)43-30(17-22(3)4)39(53)45-36(23(5)6)40(54)44-31(19-25-8-11-27(46)12-9-25)37(51)41-26-10-13-28-24(7)18-35(50)55-32(28)20-26/h8-13,18,20-23,29-31,36,46H,14-17,19H2,1-7H3,(H,41,51)(H,42,47)(H,43,52)(H,44,54)(H,45,53)(H,48,49)/t29-,30-,31-,36-/m0/s1
• InChIKey: UVFAEQZFLBGVRM-MSMWPWNWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
• IUPAC Traditional name: suc-llvy-amc
• Synonyms: N-SUCCINYL-L-LEUCYL-L-LEUCYL-L-VALYL-L-TYROSINE-4-METHYLCOUMARYL-7-AMIDE; Suc-Leu-Leu-Val-Tyr-AMC; Suc-LLVY-AMC; Suc-Leu-Leu-Val-Tyr-7-Amino-4-Methylcoumarin

Database IDs

• CAS Number: 94367-21-2
• PubChem SID: 162090907
• PubChem CID: 10234210

CALCULATED PROPERTIES

• Acid pKa: 4.326521
• H Acceptors: 9
• H Donor: 7
• LogD (pH = 5.5): 2.547925
• LogD (pH = 7.4): 0.80080056
• Log P: 3.7477279
• Molar Refractivity: 203.7192 cm^3
• Polarizability: 78.57776 Å^3
• Polar Surface Area: 229.33 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02152086

Fluorogenic substrate for Chymotrypsin

MP Biomedicals - 03AMC086

A fluorogenic substrate for Chymotrypsin.

REFERENCES

• Ishiwra, S. et al., FEBS Lett., 189:119 (1988).
• Tsukahara, T. et al., Eur. J. Biochem., 177:261 (1988).