PRAZARELIX

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C80H102ClN23O12
Molecular Weight	1613.266
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC2=NN=C(N)N2)C=C1)NC(=O)[C@H](CC3=CC=C(NC4=NN=C(N)N4)C=C3)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CC=CN=C5)NC(=O)[C@@H](CC6=CC=C(Cl)C=C6)NC(=O)[C@@H](CC7=CC=C8C=CC=CC8=C7)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N9CCC[C@H]9C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=VLGKQBGBPIVGBX-ZVSGBDDQSA-N

InChI=1S/C80H102ClN23O12/c1-44(2)35-59(68(108)91-58(16-9-10-33-86-45(3)4)76(116)104-34-12-17-66(104)75(115)87-46(5)67(82)107)92-70(110)62(38-49-21-28-56(29-22-49)89-79-98-77(83)100-102-79)94-72(112)63(39-50-23-30-57(31-24-50)90-80-99-78(84)101-103-80)96-74(114)65(43-105)97-73(113)64(41-52-13-11-32-85-42-52)95-71(111)61(37-48-19-26-55(81)27-20-48)93-69(109)60(88-47(6)106)40-51-18-25-53-14-7-8-15-54(53)36-51/h7-8,11,13-15,18-32,36,42,44-46,58-66,86,105H,9-10,12,16-17,33-35,37-41,43H2,1-6H3,(H2,82,107)(H,87,115)(H,88,106)(H,91,108)(H,92,110)(H,93,109)(H,94,112)(H,95,111)(H,96,114)(H,97,113)(H4,83,89,98,100,102)(H4,84,90,99,101,103)/t46-,58+,59+,60-,61-,62-,63+,64-,65+,66+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C80H102ClN23O12
Molecular Weight	1613.266
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	6
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:10:44 UTC 2023` Edited by `admin` on `Fri Dec 15 17:10:44 UTC 2023`
Record UNII	68HX54O1VL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PRAZARELIX

Official Name

English

prazarelix [INN]

Common Name

English

N-ACETYL-3-(2-NAPHTHYL)-D-ALANYL-P-CHLORO-D-PHENYLALANYL-3-(3-PYRIDYL)-D-ALANYL-L-SERYL-P-((5-AMINO-S-TRIAZOL-3-YL)AMINO)-L-PHENYLALANYL-P-((5-AMINO-S-TRIAZOL-3-YL)AMINO)-D-PHENYLALANYL-L-LEUCYL-N6-ISOPROPYL-L-LYSYL-L-PROLYL-D-ALANINAMIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2092