MODIMELANOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C113H181N33O25S
Molecular Weight	2433.917
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(N)=O

InChI

InChIKey=WHRVKPBBRZHWTN-ZHHKRVSMSA-N

InChI=1S/C113H181N33O25S/c1-66(2)94(95(121)154)145-111(170)91-38-25-54-146(91)112(171)84(36-16-23-52-120)130-92(151)62-127-96(155)87(58-70-60-126-74-29-9-8-28-73(70)74)141-102(161)81(37-24-53-125-113(122)123)136-106(165)85(56-68-26-6-5-7-27-68)139-108(167)88(59-71-61-124-65-128-71)142-104(163)82(43-44-93(152)153)137-105(164)83(45-55-172-4)138-109(168)89(63-147)144-107(166)86(57-69-39-41-72(150)42-40-69)140-110(169)90(64-148)143-103(162)80(35-15-22-51-119)135-101(160)79(34-14-21-50-118)134-100(159)78(33-13-20-49-117)133-99(158)77(32-12-19-48-116)132-98(157)76(31-11-18-47-115)131-97(156)75(129-67(3)149)30-10-17-46-114/h5-9,26-29,39-42,60-61,65-66,75-91,94,126,147-148,150H,10-25,30-38,43-59,62-64,114-120H2,1-4H3,(H2,121,154)(H,124,128)(H,127,155)(H,129,149)(H,130,151)(H,131,156)(H,132,157)(H,133,158)(H,134,159)(H,135,160)(H,136,165)(H,137,164)(H,138,168)(H,139,167)(H,140,169)(H,141,161)(H,142,163)(H,143,162)(H,144,166)(H,145,170)(H,152,153)(H4,122,123,125)/t75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,94-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C113H181N33O25S
Molecular Weight	2433.917
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	12
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:00:12 UTC 2023` Edited by `admin` on `Sat Dec 16 11:00:12 UTC 2023`
Record UNII	96C1EBE9CG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MODIMELANOTIDE

Official Name

English

ABT-719

Code

English

Modimelanotide [WHO-DD]

Common Name

English

modimelanotide [INN]

Common Name

English

AP-214

Code

English

L-VALINAMIDE, N2-ACETYL-L-LYSYL-L-LYSYL-L-LYSYL-L-LYSYL-L-LYSYL-L-LYSYL-L-SERYL-L-TYROSYL-L-SERYL-L-METHIONYL-L-.ALPHA.-GLUTAMYL-L-HISTIDYL-L-PHENYLALANYL-L-ARGINYL-L-TRYPTOPHYLGLYCYL-L-LYSYL-L-PROLYL-

Systematic Name

English

ZP-1480

Code

English

ACETYLHEXA-L-LYSYL(HUMAN MELANOTROPIN ALPHA (ALPHA-MSH)) MELANOCORTIN RECEPTOR AGONIST

Common Name

English

Code System Code Type Description

ChEMBL

CHEMBL3545104