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SLIGRL-NH2

CAT: 0024-sc-359903Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-359903Size:1 mg
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CAS Number
171436-38-7

Chemical Information

Sligrl-NH2
CAS Number171436-38-7
PubChem CID9831050
IUPAC Name(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-methylpentanamide
Molecular FormulaC29H56N10O7
Molecular Weight656.8
XLogP-1.3
Topological Polar Surface Area299
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count46
Formal Charge0
Complexity1050
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N
InChI
InChI=1S/C29H56N10O7/c1-7-17(6)23(39-27(45)21(12-16(4)5)38-25(43)18(30)14-40)28(46)35-13-22(41)36-19(9-8-10-34-29(32)33)26(44)37-20(24(31)42)11-15(2)3/h15-21,23,40H,7-14,30H2,1-6H3,(H2,31,42)(H,35,46)(H,36,41)(H,37,44)(H,38,43)(H,39,45)(H4,32,33,34)/t17-,18-,19-,20-,21-,23-/m0/s1
InChIKey
SGPMJRPYYIJZPC-JYAZKYGWSA-N
Chemical Structure
2D Structure
2D structure of Sligrl-NH2
CAS: 171436-38-7
CID: 9831050
Formula: C29H56N10O7
MW: 656.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight656.8
XLogP3-1.3
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass656.43334416
Monoisotopic Mass656.43334416
Topological Polar Surface Area299 Ų
Heavy Atom Count46
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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