KAHALALIDE F

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C75H124N14O16
Molecular Weight	1477.8742
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@]([H])([C@@H](C)CC)C(=O)N[C@@H]2[C@@H](C)OC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](NC(=O)[C@]([H])(NC2=O)[C@@H](C)CC)C(C)C)=C\C)C(C)C

InChI

InChIKey=RCGXNDQKCXNWLO-YUHQQKLOSA-N

InChI=1S/C75H124N14O16/c1-20-44(16)59(71(100)88-62-47(19)105-75(104)58(43(14)15)84-63(92)49(22-3)77-65(94)51(37-48-30-24-23-25-31-48)79-67(96)55(40(8)9)81-70(99)60(45(17)21-2)86-73(62)102)85-64(93)50(32-27-35-76)78-66(95)52-33-28-36-89(52)74(103)57(42(12)13)83-69(98)56(41(10)11)82-72(101)61(46(18)90)87-68(97)54(39(6)7)80-53(91)34-26-29-38(4)5/h22-25,30-31,38-47,50-52,54-62,90H,20-21,26-29,32-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b49-22-/t44-,45-,46+,47+,50-,51-,52+,54+,55+,56-,57+,58-,59+,60+,61-,62+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C75H124N14O16
Molecular Weight	1477.8742
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:14:01 GMT 2025` Edited by `admin` on `Mon Mar 31 22:14:01 GMT 2025`
Record UNII	BQD6E2ZXEA
Record Status	`FAILED`
Record Version

Download

Name

Type

Language

KAHALALIDE F

Common Name

English

PM-92102

Preferred Name

English

KAHALALIDE F [MI]

Common Name

English

L-VALINE, N-(5-METHYL-1-OXOHEXYL)-D-VALYL-L-THREONYL-L-VALYL-D-VALYL-D-PROLYL-L-ORNITHYL-D-ALLOISOLEUCYL-D-ALLOTHREONYL-D-ALLOISOLEUCYL-D-VALYL-L-PHENYLALANYL-(2Z)-2-AMINO-2-BUTENOYL-, (13->8)-LACTONE

Systematic Name

English

Code System Code Type Description

CAS

149204-42-2