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Ac-SVVVRT-NH2

CAT: 0607-BA8075-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8075-10Size:10 mg
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CAS Number
1401804-69-0
Form
A solid
Molecular Formula
C30H56N10O9
Molecular Weight
700.83
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

Ac-SVVVRT-NH2
CAS Number1401804-69-0
PubChem CID66550606
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular FormulaC30H56N10O9
Molecular Weight700.8
XLogP-2.4
Topological Polar Surface Area323
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Heavy Atom Count49
Formal Charge0
Complexity1190
SMILES
C[C@H]([C@@H](C(=O)N)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](C(C)C)NC(=O)[C@H](CO)NC(=O)C)O
InChI
InChI=1S/C30H56N10O9/c1-13(2)20(27(47)36-18(10-9-11-34-30(32)33)25(45)40-23(16(7)42)24(31)44)38-29(49)22(15(5)6)39-28(48)21(14(3)4)37-26(46)19(12-41)35-17(8)43/h13-16,18-23,41-42H,9-12H2,1-8H3,(H2,31,44)(H,35,43)(H,36,47)(H,37,46)(H,38,49)(H,39,48)(H,40,45)(H4,32,33,34)/t16-,18+,19+,20+,21+,22+,23+/m1/s1
InChIKey
CUOVGJYWDCHHTD-JAAOUQFMSA-N
Chemical Structure
2D Structure
2D structure of Ac-SVVVRT-NH2
CAS: 1401804-69-0
CID: 66550606
Formula: C30H56N10O9
MW: 700.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight700.8
XLogP3-2.4
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Exact Mass700.42317340
Monoisotopic Mass700.42317340
Topological Polar Surface Area323 Ų
Heavy Atom Count49
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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