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103244-41-3 molecular structure
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2-(2-{2-[2-(2-{2-[2-(2-amino-3-hydroxypropanamido)-5-carbamimidamidopentanamido]-3-methylbutanamido}-3-hydroxypropanamido)-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido}-3-hydroxypropanamido)-5-carbamimidamidopentanoic acid

ChemBase ID: 133901
Molecular Formular: C38H74N20O12
Molecular Mass: 1003.12096
Monoisotopic Mass: 1002.57950791
SMILES and InChIs

SMILES:
CC(C)C(C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)N
Canonical SMILES:
OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCNC(=N)N)CO)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(CO)N)CCCNC(=N)N
InChI:
InChI=1S/C38H74N20O12/c1-18(2)26(58-30(65)22(9-5-13-50-37(44)45)52-27(62)19(39)15-59)33(68)57-25(17-61)31(66)54-20(7-3-11-48-35(40)41)28(63)53-21(8-4-12-49-36(42)43)29(64)56-24(16-60)32(67)55-23(34(69)70)10-6-14-51-38(46)47/h18-26,59-61H,3-17,39H2,1-2H3,(H,52,62)(H,53,63)(H,54,66)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,69,70)(H4,40,41,48)(H4,42,43,49)(H4,44,45,50)(H4,46,47,51)
InChIKey:
ZLWOQMRVOZVGEB-UHFFFAOYSA-N

Cite this record

CBID:133901 http://www.chembase.cn/molecule-133901.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-{2-[2-(2-{2-[2-(2-amino-3-hydroxypropanamido)-5-carbamimidamidopentanamido]-3-methylbutanamido}-3-hydroxypropanamido)-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido}-3-hydroxypropanamido)-5-carbamimidamidopentanoic acid
IUPAC Traditional name
2-(2-{2-[2-(2-{2-[2-(2-amino-3-hydroxypropanamido)-5-carbamimidamidopentanamido]-3-methylbutanamido}-3-hydroxypropanamido)-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido}-3-hydroxypropanamido)-5-carbamimidamidopentanoic acid
Synonyms
Ser-Arg-Val-Ser-Arg-Arg-Ser-Arg
Insulin-like Growth Factor-II fragment 33-40
CAS Number
103244-41-3
MDL Number
MFCD00076551
PubChem SID
162228178
24896027
PubChem CID
5225514

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
I3263 external link Add to cart Please log in.
Data Source Data ID
PubChem 5225514 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.3063736  H Acceptors 25 
H Donor 24  LogD (pH = 5.5) -21.108273 
LogD (pH = 7.4) -19.47239  Log P -12.465165 
Molar Refractivity 288.909 cm3 Polarizability 95.65565 Å3
Polar Surface Area 575.31 Å2 Rotatable Bonds 35 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Gene Information
rat ... Npy(24604) expand Show data source
Purity
≥97% (HPLC) expand Show data source
Compostion
Peptide content, ~65% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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