SC-239

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H84N10O11
Molecular Weight	1181.4229
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)C1=CC(NC(=O)OCC2=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C35)C(C)C)C=C2)=CC=C1

InChI

InChIKey=ZMSFFQZNTRZZJB-QUAMOIMISA-N

InChI=1S/C65H84N10O11/c1-39(2)51(35-41(5)61(82)83)74(12)60(81)56(64(6,7)8)73-59(80)55(67-11)65(9,10)46-22-17-23-48(36-46)70-63(85)86-38-42-26-30-47(31-27-42)69-57(78)49(24-18-34-68-62(66)84)71-58(79)54(40(3)4)72-52(76)32-33-53(77)75-37-45-21-14-13-19-43(45)28-29-44-20-15-16-25-50(44)75/h13-17,19-23,25-27,30-31,35-36,39-40,49,51,54-56,67H,18,24,32-34,37-38H2,1-12H3,(H,69,78)(H,70,85)(H,71,79)(H,72,76)(H,73,80)(H,82,83)(H3,66,68,84)/b41-35+/t49-,51+,54-,55+,56+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

SC-239

Code

English

SC239

Preferred Name

English

3-[[[[4-[[N-[4-(11,12-Didehydrodibenz[b,f]azocin-5(6H)-yl)-1,4-dioxobutyl]-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]amino]-N,?,?-trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl-L-valin

Common Name

English

L-Valinamide, 3-[[[[4-[[N-[4-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-1,4-dioxobutyl]-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]amino]-N,?,?-trimethyl-L-phenylalanyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-di

Common Name

English

Code System Code Type Description

FDA UNII

HR2TU87M53

Created by admin on Wed Apr 02 03:12:13 GMT 2025 , Edited by admin on Wed Apr 02 03:12:13 GMT 2025

PRIMARY

CAS

1977557-97-3

Created by admin on Wed Apr 02 03:12:13 GMT 2025 , Edited by admin on Wed Apr 02 03:12:13 GMT 2025

PRIMARY

PUBCHEM

122467542

Created by admin on Wed Apr 02 03:12:13 GMT 2025 , Edited by admin on Wed Apr 02 03:12:13 GMT 2025

PRIMARY

SMS_ID

300000017512

Created by admin on Wed Apr 02 03:12:13 GMT 2025 , Edited by admin on Wed Apr 02 03:12:13 GMT 2025

PRIMARY

SUBSTANCE RECORD


					HR2TU87M53

SC-239