B-10356

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H91N17O13
Molecular Weight	1222.4385
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NCCCC[C@H](NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)N[C@@H](C3CCCC3)C(=O)N[C@@H](CO)C(=O)N4CC5=C(C[C@@H]4C(=O)N[C@@H](C6CCCC6)C(O)=O)C=CC=C5

InChI

InChIKey=MGAUKIJQVBRLDD-NHSZHPQISA-N

InChI=1S/C57H91N17O13/c58-22-8-7-19-38(67-47(78)37(59)18-9-23-64-56(60)61)48(79)68-39(20-10-24-65-57(62)63)52(83)72-25-11-21-41(72)54(85)74-30-36(76)27-43(74)49(80)66-28-44(77)70-45(32-12-1-2-13-32)51(82)69-40(31-75)53(84)73-29-35-17-6-5-16-34(35)26-42(73)50(81)71-46(55(86)87)33-14-3-4-15-33/h5-6,16-17,32-33,36-43,45-46,75-76H,1-4,7-15,18-31,58-59H2,(H,66,80)(H,67,78)(H,68,79)(H,69,82)(H,70,77)(H,71,81)(H,86,87)(H4,60,61,64)(H4,62,63,65)/t36-,37-,38+,39+,40+,41+,42-,43+,45+,46+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C57H91N17O13
Molecular Weight	1222.4385
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:06:09 GMT 2023` Edited by `admin` on `Sat Dec 16 01:06:09 GMT 2023`
Record UNII	M383OF5E1N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

B-10356

Common Name

English

(S)-2-((R)-2-(((S)-2-(2-((2S,4R)-1-(D-ARGINYL-L-LYSYL-L-ARGINYL-L-PROLYL)-4-HYDROXYPYRROLIDINE-2-CARBOXAMIDO)ACETAMIDO)-2-CYCLOPENTYLACETYL)-L-SERYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDO)-2-CYCLOPENTYLACETIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

11535475

Created by admin on Sat Dec 16 01:06:10 GMT 2023 , Edited by admin on Sat Dec 16 01:06:10 GMT 2023

PRIMARY

FDA UNII

M383OF5E1N

Created by admin on Sat Dec 16 01:06:10 GMT 2023 , Edited by admin on Sat Dec 16 01:06:10 GMT 2023

PRIMARY

CAS

886537-99-1

Created by admin on Sat Dec 16 01:06:10 GMT 2023 , Edited by admin on Sat Dec 16 01:06:10 GMT 2023

PRIMARY

Related Record Type Details


					M383OF5E1N

B-10356

ACTIVE MOIETY