Ac-IEPD-AFC 1mg

CAT: 0628-A15319-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A15319-1Size:1 mg

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CAS Number

1135417-31-0

Chemical Information

Ac-IEPD-AFC

CAS Number	1135417-31-0
PubChem CID	25108575
IUPAC Name	(4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[(2S)-2-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
Molecular Formula	C32H38F3N5O11
Molecular Weight	725.7
XLogP	0.8
Topological Polar Surface Area	238
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	15
Heavy Atom Count	51
Formal Charge	0
Complexity	1420

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)NC(=O)C

InChI

InChI=1S/C32H38F3N5O11/c1-4-15(2)27(36-16(3)41)30(49)38-20(9-10-24(42)43)31(50)40-11-5-6-22(40)29(48)39-21(14-25(44)45)28(47)37-17-7-8-18-19(32(33,34)35)13-26(46)51-23(18)12-17/h7-8,12-13,15,20-22,27H,4-6,9-11,14H2,1-3H3,(H,36,41)(H,37,47)(H,38,49)(H,39,48)(H,42,43)(H,44,45)/t15-,20-,21-,22-,27-/m0/s1

InChIKey

HWXKKVLJPWMVLL-FGGUPADCSA-N

Chemical Structure

2D Structure

CAS: 1135417-31-0

CID: 25108575

Formula: C32H38F3N5O11

MW: 725.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	725.7
XLogP3	0.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	15
Exact Mass	725.25199153
Monoisotopic Mass	725.25199153
Topological Polar Surface Area	238 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1420
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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-IEPD-AFC 1mg

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