Ac-DEVD-AMC 50mg

CAT: 0628-A22760-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A22760-50Size:50 mg

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CAS Number

169332-61-0

Chemical Information

Ac-DEVD-AMC

CAS Number	169332-61-0
PubChem CID	9896164
IUPAC Name	(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular Formula	C30H37N5O13
Molecular Weight	675.6
XLogP	-1.3
Topological Polar Surface Area	284
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	17
Heavy Atom Count	48
Formal Charge	0
Complexity	1330

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C30H37N5O13/c1-13(2)26(35-27(44)18(7-8-22(37)38)33-29(46)19(11-23(39)40)31-15(4)36)30(47)34-20(12-24(41)42)28(45)32-16-5-6-17-14(3)9-25(43)48-21(17)10-16/h5-6,9-10,13,18-20,26H,7-8,11-12H2,1-4H3,(H,31,36)(H,32,45)(H,33,46)(H,34,47)(H,35,44)(H,37,38)(H,39,40)(H,41,42)/t18-,19-,20-,26-/m0/s1

InChIKey

ALZSTTDFHZHSCA-RNVDEAKXSA-N

Chemical Structure

2D Structure

CAS: 169332-61-0

CID: 9896164

Formula: C30H37N5O13

MW: 675.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	675.6
XLogP3	-1.3
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	17
Exact Mass	675.23878625
Monoisotopic Mass	675.23878625
Topological Polar Surface Area	284 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1330
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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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Ac-DEVD-AMC 50mg

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