LABRADIMIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H75N15O12S
Molecular Weight	1098.278
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(C[C@@H](O)CN1C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC3=CC=CS3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@H](CN[C@@H](CCCNC(N)=N)C(O)=O)CC5=CC=C(OC)C=C5

InChI

InChIKey=IDXCXSCCZNCXCL-XMADEQCMSA-N

InChI=1S/C49H75N15O12S/c1-76-31-14-12-28(13-15-31)21-29(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-77-32)60-40(67)25-58-42(69)39-22-30(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,29-30,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)/t29-,30+,33-,34-,35-,36-,37-,38-,39-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H75N15O12S
Molecular Weight	1098.278
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:38:47 UTC 2023` Edited by `admin` on `Fri Dec 15 15:38:47 UTC 2023`
Record UNII	2MK663C346
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LABRADIMIL

Official Name

English

labradimil [INN]

Common Name

English

RMP-7

Code

English

LOBRADIMIL

Common Name

English

(S-(R*,R*))-L-ARGINYL-L-PROLYL-TRANS-4-HYDROXY-L-PROLYLGLYCYL-3-(2-THIENYL)-L-ALANYL-L-SERYL-N-(2-((4-(AMINOIMINOMETHYL)AMINO)-1-CARBOXYBUTYL)AMINO)-1-((4-METHOXYPHENYL)METHYL)ETHYL)-L-PROLINAMIDE

Common Name

English

N(SUP 2)2-((S)-2-(L-ARGINYL-L-PROLYL-TRANS-4-HYDROXY-L-PROLYGLYCYL-3-(2-THIENYL)-L-ALANYL-L-SERYL-L-PROLINAMIDO)-3-(P-METHOXYPHENYL)PROPYL)-L-ARGININE

Common Name

English

LABRADIMIL [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2140