Eledoisin | CAS No. 69-25-0

Eledoisin

Basic Information

View in Editor

CAS Number

69-25-0

Molecular Formula

C54H85N13O15S

Molecular Weight

1188.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data available

Melting Point

No data available

Boiling Point

1618.1±65.0 °C at 760 mmHg

Density

1.289

Flash Point

932.4±34.3 °C

Refractive Index

1.569

SMILES

View in Editor

CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C3CCC(=O)N3

InChI

InChI=1S/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1

InChIKey

AYLPVIWBPZMVSH-FCKMLYJASA-N

LogP

-3.560200000000018

Topological Polar Surface Area

437.9499999999999 Å²

Hydrogen Bond Donor/Acceptor

16 / 28

Complexity

2270

Synonyms & References

English

Eledoisina
AKOS024456851
BRN 4796573
C54-H85-N13-O15-S
NCGC00167276-01
Eledone peptide
BDBM50194558
OKY3285J18
UNII-OKY3285J18
Eledoisin (INN)
Eledoisin [INN]
GTPL2086
CAS-69-25-0
5-oxo-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-alpha-aspartyl-L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamide
5-Oxo-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-aspartyl-L-alanyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamide
D07936
DTXCID9026926
CHEBI:135903
Eledoisinum
D0U9IB
DTXSID1046926
69-25-0
ELD-950
Q5358600
C20029
Tox21_112815
ELD 950
FI 6225 TF/Ocoa
Eledoisina [INN-Spanish]
Eledoisin Acetate
SCHEMBL158143