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Neuronostatin-13 human 1mg

CAT: 0628-A17111-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A17111-1Size:1 mg
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CAS Number
1096485-24-3

Chemical Information

Neuronostatin-13 (human, canine, porcine) trifluoroacetate salt
CAS Number1096485-24-3
PubChem CID138106610
IUPAC Name(2S)-N-[(2R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanediamide
Molecular FormulaC64H110N20O16
Molecular Weight1415.7
XLogP-3.7
Topological Polar Surface Area615
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count19
Rotatable Bond Count48
Heavy Atom Count100
Formal Charge0
Complexity2780
SMILES
C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)N
InChI
InChI=1S/C64H110N20O16/c1-32(2)27-40(66)55(92)77-42(20-16-26-72-64(70)71)56(93)79-44(22-24-50(68)87)59(96)83-47(30-39-17-12-11-13-18-39)62(99)81-46(29-34(5)6)61(98)80-43(21-23-49(67)86)58(95)78-41(19-14-15-25-65)57(94)84-48(31-85)63(100)82-45(28-33(3)4)60(97)76-38(10)54(91)75-37(9)53(90)74-36(8)52(89)73-35(7)51(69)88/h11-13,17-18,32-38,40-48,85H,14-16,19-31,65-66H2,1-10H3,(H2,67,86)(H2,68,87)(H2,69,88)(H,73,89)(H,74,90)(H,75,91)(H,76,97)(H,77,92)(H,78,95)(H,79,93)(H,80,98)(H,81,99)(H,82,100)(H,83,96)(H,84,94)(H4,70,71,72)/t35-,36-,37-,38-,40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1
InChIKey
FOBROQPAHZFJIA-QACLBKBCSA-N
Chemical Structure
2D Structure
2D structure of Neuronostatin-13 (human, canine, porcine) trifluoroacetate salt
CAS: 1096485-24-3
CID: 138106610
Formula: C64H110N20O16
MW: 1415.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1415.7
XLogP3-3.7
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count19
Rotatable Bond Count48
Exact Mass1414.84086750
Monoisotopic Mass1414.84086750
Topological Polar Surface Area615 Ų
Heavy Atom Count100
Formal Charge0
Complexity2780
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5763835Neuronostatin-13 human
HY-P1373-01Neuronostatin-13 (human)
TP1827L-01Neuronostatin-13 human acetate
060-50Neuronostatin-13 (Human, Porcine)
060-54[Tyr0]-Neuronostatin-13 (Human)
H-6658.1000Neuronostatin-13 (human, canine, porcine)
H-060-50Neuronostatin-13 (Human, Porcine) - Antibody
EK-060-50Neuronostatin-13 (Human, Porcine) - EIA Kit
EA0212Hu-01Human Neuronostatin 13, NST13 ELISA KIT
060-51Neuronostatin-13 free acid (Human, Porcine)

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