RUSFERTIDE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C114H181N27O28S2.C2H4O2
Molecular Weight	2502.003
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.[H][C@@]12CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC6=CNC=N6)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CC(C)C)[C@@H](C)O)[C@@H](C)CC

InChI

InChIKey=XDGUXPSNNIXCRG-RKJDWXQOSA-N

InChI=1S/C114H181N27O28S2.C2H4O2/c1-7-9-10-11-12-13-14-15-16-17-18-19-26-46-90(145)125-79(113(168)169)47-49-89(144)121-53-32-29-42-76-99(154)133-80(58-71-36-22-20-23-37-71)101(156)132-78(48-50-93(148)149)111(166)140-55-34-44-87(140)107(162)130-77(43-33-54-122-114(118)119)100(155)136-84(64-142)104(159)129-75(41-28-31-52-116)98(153)123-63-92(147)127-85(105(160)128-74(97(117)152)40-27-30-51-115)65-170-171-66-86(106(161)138-95(69(5)8-2)109(164)131-76)137-108(163)88-45-35-56-141(88)112(167)83(59-72-38-24-21-25-39-72)135-102(157)81(60-73-62-120-67-124-73)134-110(165)96(70(6)143)139-103(158)82(61-94(150)151)126-91(146)57-68(3)4;1-2(3)4/h20-25,36-39,62,67-70,74-88,95-96,142-143H,7-19,26-35,40-61,63-66,115-116H2,1-6H3,(H2,117,152)(H,120,124)(H,121,144)(H,123,153)(H,125,145)(H,126,146)(H,127,147)(H,128,160)(H,129,159)(H,130,162)(H,131,164)(H,132,156)(H,133,154)(H,134,165)(H,135,157)(H,136,155)(H,137,163)(H,138,161)(H,139,158)(H,148,149)(H,150,151)(H,168,169)(H4,118,119,122);1H3,(H,3,4)/t69-,70+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-,96-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C114H181N27O28S2
Molecular Weight	2441.951
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:44:11 GMT 2023` Edited by `admin` on `Sat Dec 16 14:44:11 GMT 2023`
Record UNII	L82J8IP845
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUSFERTIDE ACETATE

Official Name

English

L-LYSINAMIDE, N-(3-METHYL-1-OXOBUTYL)-L-.ALPHA.-ASPARTYL-L-THREONYL-L-HISTIDYL-L-PHENYLALANYL-L-PROLYL-L-CYSTEINYL-L-ISOLEUCYL-N6-(N-(1-OXOHEXADECYL)-L-.GAMMA.-GLUTAMYL)-L-LYSYL-L-PHENYLALANYL-L-.ALPHA.-GLUTAMYL-L-PROLYL-L-ARGINYL-L-SERYL-L-LYSYLGLYCYL-L

Systematic Name

English

RUSFERTIDE ACETATE [USAN]

Common Name

English

PTG-300 ACETATE

Code

English

N-(3-METHYLBUTANOYL)-L-.ALPHA.-ASPARTYL-L-THREONYL-L-HISTIDYL-L-PHENYLALANYL-L-PROLYL-L-CYSTEINYL-L-ISOLEUCYL-N6-(N-(HEXADECANOYL)-L-.GAMMA.-GLUTAMYL)-L-LYSYL-L-PHENYLALANYL-L-.ALPHA.-GLUTAMYL-L-PROLYL-L-ARGINYL-L-SERYL-L-LYSYLGLYCYL-L-CYSTEINYL-L-LYSINA

Systematic Name

English

PTG300 ACETATE

Code

English

Code System Code Type Description

FDA UNII

L82J8IP845