D-68987

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C85H112ClN17O15
Molecular Weight	1647.357
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(=O)CCC(=O)NC1=CC=C(C=C1)C(N)=N)NC(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC3=CC=CN=C3)NC(=O)[C@@H](CC4=CC=C(Cl)C=C4)NC(=O)[C@@H](CC5=CC=C6C=CC=CC6=C5)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N7CCC[C@H]7C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=QFJPNMCTXPYWLJ-LZSYFJBYSA-N

InChI=1S/C85H112ClN17O15/c1-7-8-20-64(78(111)98-66(22-12-13-41-91-51(2)3)85(118)103-43-16-23-71(103)82(115)93-52(4)76(89)109)96-77(110)65(21-11-14-42-92-73(107)38-39-74(108)95-62-34-30-59(31-35-62)75(87)88)97-83(116)72(48-55-27-36-63(106)37-28-55)102(6)84(117)70(50-104)101-81(114)69(47-57-17-15-40-90-49-57)100-80(113)68(45-54-25-32-61(86)33-26-54)99-79(112)67(94-53(5)105)46-56-24-29-58-18-9-10-19-60(58)44-56/h9-10,15,17-19,24-37,40,44,49,51-52,64-72,91,104,106H,7-8,11-14,16,20-23,38-39,41-43,45-48,50H2,1-6H3,(H3,87,88)(H2,89,109)(H,92,107)(H,93,115)(H,94,105)(H,95,108)(H,96,110)(H,97,116)(H,98,111)(H,99,112)(H,100,113)(H,101,114)/t52-,64+,65-,66+,67-,68-,69-,70+,71+,72+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C85H112ClN17O15
Molecular Weight	1647.357
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 `Sat Dec 16 09:41:21 GMT 2023` Edited by `admin` on `Sat Dec 16 09:41:21 GMT 2023`
Record UNII	ZJ47XG87K5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

D-68987

Common Name

English

D-ALANINAMIDE, N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-3-(3-PYRIDINYL)-D-ALANYL-L-SERYL-N-METHYL-L-TYROSYL-N6-(4-((4-(AMINOIMINOMETHYL)PHENYL)AMINO)-1,4-DIOXOBUTYL)-D-LYSYL-L-NORLEUCYL-N6-(1-METHYLETHYL)-L-LYSYL-L-PROLYL-

Systematic Name

English

Code System Code Type Description

CAS

362588-64-5

Created by admin on Sat Dec 16 09:41:21 GMT 2023 , Edited by admin on Sat Dec 16 09:41:21 GMT 2023

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PUBCHEM

16137385

Created by admin on Sat Dec 16 09:41:21 GMT 2023 , Edited by admin on Sat Dec 16 09:41:21 GMT 2023

PRIMARY

FDA UNII

ZJ47XG87K5

Created by admin on Sat Dec 16 09:41:21 GMT 2023 , Edited by admin on Sat Dec 16 09:41:21 GMT 2023

PRIMARY

Related Record Type Details


					ZJ47XG87K5

D-68987

ACTIVE MOIETY