Dasminapant

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H72N10O10S2
Molecular Weight	1157.405
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[C@@]5([H])CC[C@H](N5C(=O)[C@H](C4)NC(=O)[C@H](C)NC)C(=O)NC(C6=CC=CC=C6)C7=CC=CC=C7)NC(=O)[C@H](C)NC)C(=O)NC(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChIKey=AKLBERUGKZNEJY-RTEPGWBGSA-N

InChI=1S/C60H72N10O10S2/c1-39(61-3)55(71)63-49-37-67(34-32-45-28-30-51(69(45)59(49)75)57(73)65-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)81(77,78)47-26-17-27-48(36-47)82(79,80)68-35-33-46-29-31-52(70(46)60(76)50(38-68)64-56(72)40(2)62-4)58(74)66-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,45-46,49-54,61-62H,28-35,37-38H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t39-,40-,45+,46+,49-,50-,51-,52-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Dasminapant

Official Name

English

SM-1387

Code

English

APG-1387

Code

English

PYRROLO(1,2-A)(1,5)DIAZOCINE-8-CARBOXAMIDE, 3,3'-(1,3-PHENYLENEBIS(SULFONYL))BIS(N-(DIPHENYLMETHYL)DECAHYDRO-5-(((2S)-2-(METHYLAMINO)-1-OXOPROPYL)AMINO)-6-OXO-, (5S,5'S,8S,8'S,10AR,10'AR)-

Systematic Name

English

(5S,5'S,8S,8'S,10aR,10'aR)-3,3'-[1,3-phenylenebis(sulfonyl)]bis{N-(diphenylmethyl)-5-[(2S)-2-(methylamino)propanamido]-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide}

Systematic Name

English

APG-1387 (SMAC MIMETIC)

Code

English

APG1387

Code

English

dasminapant [INN]

Common Name

English

Code System Code Type Description

DAILYMED

E53VN70K2X