Suc-Leu-Leu-Val-Tyr-4-Methoxy-2-Naphthylamine|3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-[(4-methoxynaphthalen-2-yl)carbamoyl]ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl]...

General Information

Structure

Molecular Formula

C₄₁H₅₅N₅O₉

Molecular Mass

761.9035

Exact Mass

761.39997837

Charge

InChI

InChI=1S/C41H55N5O9/c1-23(2)18-31(43-35(48)16-17-36(49)50)39(52)44-32(19-24(3)4)40(53)46-37(25(5)6)41(54)45-33(20-26-12-14-29(47)15-13-26)38(51)42-28-21-27-10-8-9-11-30(27)34(22-28)55-7/h8-15,21-25,31-33,37,47H,16-20H2,1-7H3,(H,42,51)(H,43,48)(H,44,52)(H,45,54)(H,46,53)(H,49,50)/t31-,32-,33-,37-/m0/s1

InChIKey

QJJMEIQMVIBXAL-GIOIUPFBSA-N

Canonic Smiles

COc1cc(NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)CC(C)C)CC(C)C)Cc2ccc(cc2)O)cc2c1cccc2

Isomeric Smiles

COc1cc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O)C(C)C)cc2c1cccc2

Calculated Properties

JChem

Acid pKa

4.326521

H Acceptors

H Donor

LogD (pH = 5.5)

3.2702222

LogD (pH = 7.4)

1.5231009

Log P

4.470025

Molar Refractivity

206.86

Polarizability

81.31387

Polar Surface Area

212.26

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-[(4-methoxynaphthalen-2-yl)carbamoyl]ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid

Synonyms

Suc-Leu-Leu-Val-Tyr-4-Methoxy-2-NaphthylamineSuc-LLVY-MNASuc-Leu-Leu-Val-Tyr-MNA

IUPAC Traditional name

Names and Identifiers

Registration numbers

PubChem SID

162105528

PubChem CID

25108723

Registration numbers

Properties

Product Information