Ac-WLA-AMC

CAT: 0607-BA8290-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8290-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1104011-59-7

Form

A solid

Molecular Formula

C32H37N5O6

Molecular Weight

587.67

Shipping Conditions

Blue ice

Storage Conditions

Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

Ac-WLA-AMC

CAS Number	1104011-59-7
PubChem CID	137700559
IUPAC Name	(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]pentanamide
Molecular Formula	C32H37N5O6
Molecular Weight	587.7
XLogP	3.3
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	43
Formal Charge	0
Complexity	1090

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C

InChI

InChI=1S/C32H37N5O6/c1-17(2)12-26(37-32(42)27(35-20(5)38)14-21-16-33-25-9-7-6-8-24(21)25)31(41)34-19(4)30(40)36-22-10-11-23-18(3)13-29(39)43-28(23)15-22/h6-11,13,15-17,19,26-27,33H,12,14H2,1-5H3,(H,34,41)(H,35,38)(H,36,40)(H,37,42)/t19-,26-,27-/m0/s1

InChIKey

PIJMRHCPKXLMIS-DOYMOWJKSA-N

Chemical Structure

2D Structure

CAS: 1104011-59-7

CID: 137700559

Formula: C32H37N5O6

MW: 587.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	587.7
XLogP3	3.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	587.27438392
Monoisotopic Mass	587.27438392
Topological Polar Surface Area	158 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1090
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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