SEGLITIDE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H56N8O7.C2H4O2
Molecular Weight	869.0168
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC5=CC=CC=C5)NC1=O

InChI

InChIKey=FIKSSPSBVSPVFU-WIKDFEFZSA-N

InChI=1S/C44H56N8O7.C2H4O2/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45;1-2(3)4/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55);1H3,(H,3,4)/t27-,34-,35-,36+,37-,38-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

SEGLITIDE ACETATE

Official Name

English

SEGLITIDE ACETATE [USAN]

Common Name

English

CYCLO(N-METHYL-L-ALANYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-VALYL-L-PHENYLALANYL), ACETATE (1:1)

Common Name

English

CYCLIC(N-ME-ALA-TYR-D-TRP-LYS-VAL-PHE) ACETATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C62799