Paluratide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C73H105F5N12O12
Molecular Weight	1437.68
Optical Activity	( - )
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](N(C)C(=O)[C@H](C2CCCC2)N(C)C(=O)C3(CCCC3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC5=CC(F)=C(C(F)=C5)C(F)(F)F)NC(=O)CN(C)C(=O)[C@H](CC6=CC=C(C)C=C6)N(CC)C(=O)[C@@H]7CCN7C(=O)[C@H](C)N(C)C1=O)C(=O)N(C)C

InChI

InChIKey=ZQVKVYRBKAEFPD-DEBTURSASA-N

InChI=1S/C73H105F5N12O12/c1-15-44(6)60-69(100)84(11)45(7)64(95)90-35-31-53(90)68(99)88(16-2)56(39-46-27-25-43(5)26-28-46)67(98)83(10)41-57(91)79-51(30-29-47-37-49(74)59(50(75)38-47)73(76,77)78)65(96)89-34-21-24-52(89)63(94)81-72(32-19-20-33-72)71(102)87(14)61(48-22-17-18-23-48)70(101)86(13)55(66(97)82(8)9)40-58(92)85(12)54(36-42(3)4)62(93)80-60/h25-28,37-38,42,44-45,48,51-56,60-61H,15-24,29-36,39-41H2,1-14H3,(H,79,91)(H,80,93)(H,81,94)/t44-,45-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Paluratide

Official Name

English

1,11-anhydro[N-methyl-L-alanyl-(2S)-azetidine-2-carbonyl-N-ethyl-4-methyl-L-phenylalanyl-N-methylglycyl-(2S)-2-amino-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]butanoyl-L-prolyl-2-aminocyclopentane-1-carbonyl-(2S)-2-cyclopentyl-N-methylglycyl-N<sup>1</sup

Preferred Name

English

paluratide [INN]

Common Name

English

Code System Code Type Description

FDA UNII

AW3YP3CD9X