OZARELIX

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C72H96ClN17O14
Molecular Weight	1459.091
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC[C@H](NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=KATZUZNTRINHDT-HALMFYTRSA-N

InChI=1S/C72H96ClN17O14/c1-5-6-17-52(63(96)85-54(19-12-33-79-71(75)76)70(103)90-34-13-20-59(90)67(100)81-42(2)61(74)94)83-62(95)53(18-9-10-32-80-72(77)104)84-68(101)60(39-45-24-29-51(93)30-25-45)89(4)69(102)58(41-91)88-66(99)57(38-47-14-11-31-78-40-47)87-65(98)56(36-44-22-27-50(73)28-23-44)86-64(97)55(82-43(3)92)37-46-21-26-48-15-7-8-16-49(48)35-46/h7-8,11,14-16,21-31,35,40,42,52-60,91,93H,5-6,9-10,12-13,17-20,32-34,36-39,41H2,1-4H3,(H2,74,94)(H,81,100)(H,82,92)(H,83,95)(H,84,101)(H,85,96)(H,86,97)(H,87,98)(H,88,99)(H4,75,76,79)(H3,77,80,104)/t42-,52+,53-,54+,55-,56-,57-,58+,59+,60+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C72H96ClN17O14
Molecular Weight	1459.091
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:59:07 UTC 2023` Edited by `admin` on `Fri Dec 15 15:59:07 UTC 2023`
Record UNII	Q1IF8M2YL3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OZARELIX

Official Name

English

AC-D-NAL(2)-D-PCL-D-PAL-SER-N-ME-TYR-D-HOMOCIT-NLE-ARG-PRO-D-ALA-NH2

Common Name

English

N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-3-(3-PYRIDINYL)-D-ALANYL-L-SERYL-N-METHYL-L-TYROSYL-N6-(AMINOCARBONYL)-D-LYSYL-L-NORLEUCYL-L-ARGINYL-L-PROLYL-D-ALANINAMIDE

Common Name

English

AC-D-2-NAL-D-4-CPA-D-3-PAL-SER-N-ME-TYR-D-HCI-NLE-ARG-PRO-D-ALA-NH2

Common Name

English

D-63153

Code

English

ozarelix [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2092