Ac-ANW-AMC

CAT: 0607-BA8298-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8298-1Size:1 mg

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CAS Number

2357123-49-8

Molecular Formula

C30H32N6O7

Molecular Weight

588.61

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Ac-ANW-AMC

CAS Number	2357123-49-8
PubChem CID	165412519
IUPAC Name	(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-N-[(2S)-3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-6-yl)amino]-1-oxopropan-2-yl]butanediamide
Molecular Formula	C30H32N6O7
Molecular Weight	588.6
XLogP	0.4
Topological Polar Surface Area	202
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Heavy Atom Count	43
Formal Charge	0
Complexity	1140

SMILES

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

InChI

InChI=1S/C30H32N6O7/c1-15-10-27(39)43-25-9-8-19(12-21(15)25)34-29(41)23(11-18-14-32-22-7-5-4-6-20(18)22)36-30(42)24(13-26(31)38)35-28(40)16(2)33-17(3)37/h4-10,12,14,16,23-24,32H,11,13H2,1-3H3,(H2,31,38)(H,33,37)(H,34,41)(H,35,40)(H,36,42)/t16-,23-,24-/m0/s1

InChIKey

LMUIALVDZMMUMF-ZCWWJEROSA-N

Chemical Structure

2D Structure

CAS: 2357123-49-8

CID: 165412519

Formula: C30H32N6O7

MW: 588.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	588.6
XLogP3	0.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	588.23324738
Monoisotopic Mass	588.23324738
Topological Polar Surface Area	202 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1140
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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