MeOSuc-Gly-Pro-Met-7-Amino-4-Methylcoumarin|MeOSuc-GPM-AMC|methyl 3-({2-[(2S)-2-{[(1S)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}ca...

General Information

Structure

Molecular Formula

C₂₇H₃₄N₄O₈S

Molecular Mass

574.64586

Exact Mass

574.20973507

Charge

InChI

InChI=1S/C27H34N4O8S/c1-16-13-25(35)39-21-14-17(6-7-18(16)21)29-26(36)19(10-12-40-3)30-27(37)20-5-4-11-31(20)23(33)15-28-22(32)8-9-24(34)38-2/h6-7,13-14,19-20H,4-5,8-12,15H2,1-3H3,(H,28,32)(H,29,36)(H,30,37)/t19-,20-/m0/s1

InChIKey

CNLVTLCZXIIUJN-PMACEKPBSA-N

Canonic Smiles

CSCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCC(=O)OC

Isomeric Smiles

COC(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc2c(c1)oc(=O)cc2C

Calculated Properties

JChem

Acid pKa

11.999202

H Acceptors

H Donor

LogD (pH = 5.5)

0.036993973

LogD (pH = 7.4)

0.03698436

Log P

0.03699411

Molar Refractivity

148.5321

Polarizability

56.910492

Polar Surface Area

160.21

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

MeOSuc-Gly-Pro-Met-7-Amino-4-MethylcoumarinMeOSuc-GPM-AMCMeOSuc-Gly-Pro-Met-AMC

IUPAC name

methyl 3-({2-[(2S)-2-{[(1S)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)propanoate

IUPAC Traditional name

methyl 3-({2-[(2S)-2-{[(1S)-1-[(4-methyl-2-oxochromen-7-yl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)propanoate

Names and Identifiers

Registration numbers

PubChem SID

162105960

PubChem CID

25108595

Registration numbers

Properties

Safety Information

MSDS Link

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Product Information