AC-FLTD-CMK

CAT: 0926-BVD25548-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-BVD25548-01Size:1 mg

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CAS Number

2376255-48-8

Smiles

CC1CNC2=C1C=C (C=N2) Br.Br.Br

Molecular Formula

C26H37ClN4O8

Molecular Weight

569 g/mol

Controlled

Chemical Information

Ac-FLTD-CMK

CAS Number	2376255-48-8
PubChem CID	155906572
IUPAC Name	(3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-chloro-4-oxopentanoic acid
Molecular Formula	C26H37ClN4O8
Molecular Weight	569.0
XLogP	0.2
Topological Polar Surface Area	191
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Heavy Atom Count	39
Formal Charge	0
Complexity	878

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CCl)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C)O

InChI

InChI=1S/C26H37ClN4O8/c1-14(2)10-19(30-24(37)20(28-16(4)33)11-17-8-6-5-7-9-17)25(38)31-23(15(3)32)26(39)29-18(12-22(35)36)21(34)13-27/h5-9,14-15,18-20,23,32H,10-13H2,1-4H3,(H,28,33)(H,29,39)(H,30,37)(H,31,38)(H,35,36)/t15-,18+,19+,20+,23+/m1/s1

InChIKey

UCWNTWGHVCSMJP-WPUDHWPRSA-N

Chemical Structure

2D Structure

CAS: 2376255-48-8

CID: 155906572

Formula: C26H37ClN4O8

MW: 569.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	569.0
XLogP3	0.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Exact Mass	568.2299918
Monoisotopic Mass	568.2299918
Topological Polar Surface Area	191 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	878
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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