OVA (55-62) 5mg

CAT: 0628-A22985-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A22985-5Size:5 mg

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CAS Number

151992-56-2

Chemical Information

CID 162678810

CAS Number	151992-56-2
PubChem CID	162678810
IUPAC Name	(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
Molecular Formula	C47H81N13O11
Molecular Weight	1004.2
XLogP	-4.8
Topological Polar Surface Area	421
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	35
Heavy Atom Count	71
Formal Charge	0
Complexity	1760

SMILES

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

InChI

InChI=1S/C47H81N13O11/c1-26(2)23-35(46(70)71)58-41(65)31(18-11-13-21-49)54-43(67)34(25-36(61)62)57-42(66)33(24-29-15-8-7-9-16-29)56-40(64)32(19-14-22-53-47(51)52)55-44(68)37(27(3)4)60-45(69)38(28(5)6)59-39(63)30(50)17-10-12-20-48/h7-9,15-16,26-28,30-35,37-38H,10-14,17-25,48-50H2,1-6H3,(H,54,67)(H,55,68)(H,56,64)(H,57,66)(H,58,65)(H,59,63)(H,60,69)(H,61,62)(H,70,71)(H4,51,52,53)/t30-,31-,32-,33-,34-,35-,37-,38-/m0/s1

InChIKey

UBAOXMCIIZKBET-OGWYRZOZSA-N

Chemical Structure

2D Structure

CAS: 151992-56-2

CID: 162678810

Formula: C47H81N13O11

MW: 1004.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1004.2
XLogP3	-4.8
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	35
Exact Mass	1003.61785045
Monoisotopic Mass	1003.61785045
Topological Polar Surface Area	421 Å²
Heavy Atom Count	71
Formal Charge	0
Complexity	1760
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	1
Compound Is Canonicalized	Yes

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OVA (55-62) 5mg

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