Angiotensin acetate

CAT: 0926-FA39591-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FA39591-01Size:25 mg

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CAS Number

20071-00-5

MDL Number

MFCD00133941

Smiles

CC (C) [C@@H] (C (=O) N[C@@H] (CC1=CC=C (C=C1) O) C (=O) N[C@@H] (C (C) C) C (=O) N[C@@H] (CC2=CN=CN2) C (=O) N3CCC[C@H]3C (=O) N[C@@H] (CC4=CC=CC=C4) C (=O) O) NC (=O) [C@H] (CCCN=C (N) N) NC (=O) [C@H] (CC (=O) N) N.CC (=O) O

Molecular Formula

C49H70N14O11• (C2H4O2) 2

Molecular Weight

1,151.27 g/mol

Controlled

Chemical Information

Angiotensin acetate

CAS Number	20071-00-5
PubChem CID	53229929
IUPAC Name	acetic acid;(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular Formula	C51H74N14O13
Molecular Weight	1091.2
Topological Polar Surface Area	452
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	28
Heavy Atom Count	78
Formal Charge	0
Complexity	1990

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)N)N.CC(=O)O

InChI

InChI=1S/C49H70N14O11.C2H4O2/c1-26(2)39(61-42(67)33(12-8-18-55-49(52)53)57-41(66)32(50)23-38(51)65)45(70)58-34(20-29-14-16-31(64)17-15-29)43(68)62-40(27(3)4)46(71)59-35(22-30-24-54-25-56-30)47(72)63-19-9-13-37(63)44(69)60-36(48(73)74)21-28-10-6-5-7-11-28;1-2(3)4/h5-7,10-11,14-17,24-27,32-37,39-40,64H,8-9,12-13,18-23,50H2,1-4H3,(H2,51,65)(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)(H4,52,53,55);1H3,(H,3,4)/t32-,33-,34-,35-,36-,37-,39-,40-;/m0./s1

InChIKey

OJRHTSBKRRHZHU-IAQGTVMASA-N

Chemical Structure

2D Structure

CAS: 20071-00-5

CID: 53229929

Formula: C51H74N14O13

MW: 1091.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1091.2
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	28
Exact Mass	1090.55597847
Monoisotopic Mass	1090.55597847
Topological Polar Surface Area	452 Å²
Heavy Atom Count	78
Formal Charge	0
Complexity	1990
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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TP3205-01	Angiotensin Acetate
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T37495-01	Angiotensin (1-7) acetate

Angiotensin acetate

Chemical Information

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