Cpp-AAF-pAb

CAT: 0926-IAP-3754-PI-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-IAP-3754-PI-01Size:1 mg

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CAS Number

116560-97-5

MDL Number

MFCD18782584

Smiles

CC (C (=O) NC (C) C (=O) NC (=O) C (CC1=CC=CC=C1) NC2=CC=C (C=C2) C (=O) O) NC (CCC3=CC=CC=C3) C (=O) O

Molecular Formula

C32H36N4O7

Molecular Weight

588.67 g/mol

Shipping Conditions

Cool Pack

Controlled

Chemical Information

N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate

Cfp-aaf-pab is a peptide.

CAS Number	116560-97-5
PubChem CID	5748203
IUPAC Name	4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid
Molecular Formula	C32H36N4O7
Molecular Weight	588.6
XLogP	2
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	15
Heavy Atom Count	43
Formal Charge	0
Complexity	940

SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC2=CC=C(C=C2)C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C32H36N4O7/c1-20(33-26(32(42)43)18-13-22-9-5-3-6-10-22)28(37)34-21(2)29(38)36-30(39)27(19-23-11-7-4-8-12-23)35-25-16-14-24(15-17-25)31(40)41/h3-12,14-17,20-21,26-27,33,35H,13,18-19H2,1-2H3,(H,34,37)(H,40,41)(H,42,43)(H,36,38,39)/t20-,21-,26?,27-/m0/s1

InChIKey

UZKWDJFXHHHJFU-FFXSJNGMSA-N

Chemical Structure

2D Structure

CAS: 116560-97-5

CID: 5748203

Formula: C32H36N4O7

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	2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	15
Exact Mass	588.25839950
Monoisotopic Mass	588.25839950
Topological Polar Surface Area	174 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	940
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

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sc-391016	Cpp-AAF-pAb
C8739-250	AAF
T73412-01	AAF-CMK
HY-129407-01	AAF-CMK (TFA)
A13605-10	AAF-CMK 10mg
BML-PI124-0005	Z-AAF-CMK
A13605-100	AAF-CMK 100mg
A13605-50	AAF-CMK 50mg
A13605-25	AAF-CMK 25mg
A13605-5	AAF-CMK 5mg

Cpp-AAF-pAb

Chemical Information

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