ALTERNATIVE DEFINITION for [BALIXAFORTIDE]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C84H118N24O21S2
Molecular Weight	1864.114
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [BALIXAFORTIDE]

Structure Search

SMILES

C[C@@H]1NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC6=CC=C(O)C=C6)NC(=O)[C@@H]7CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N8CCC[C@@H]8C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC9=CC=C(O)C=C9)C(=O)N7

InChI

InChIKey=MKXOUIKTXREBLX-ZQIZBJKLSA-N

InChI=1S/C84H118N24O21S2/c1-44-68(114)104-62-41-130-131-42-63(105-75(121)58(36-47-16-22-51(111)23-17-47)99-69(115)53(10-5-31-91-84(88)89)95-71(117)55(28-30-86)97-79(125)64-11-6-32-106(64)81(127)45(2)94-76(122)61(40-109)103-78(62)124)77(123)100-57(35-46-14-20-50(110)21-15-46)73(119)96-54(26-27-67(87)113)70(116)98-56(9-3-4-29-85)82(128)108-34-8-13-66(108)83(129)107-33-7-12-65(107)80(126)102-59(37-48-18-24-52(112)25-19-48)74(120)101-60(72(118)93-44)38-49-39-90-43-92-49/h14-25,39,43-45,53-66,109-112H,3-13,26-38,40-42,85-86H2,1-2H3,(H2,87,113)(H,90,92)(H,93,118)(H,94,122)(H,95,117)(H,96,119)(H,97,125)(H,98,116)(H,99,115)(H,100,123)(H,101,120)(H,102,126)(H,103,124)(H,104,114)(H,105,121)(H4,88,89,91)/t44-,45-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65-,66-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C84H118N24O21S2
Molecular Weight	1864.114
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:51:23 GMT 2025` Edited by `admin` on `Wed Apr 02 05:51:23 GMT 2025`
Record UNII	PRC974M49B
Record Status	`alternative`
Record Version

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					PRC974M49B

BALIXAFORTIDE

Related Record Type Details


					PRC974M49B

BALIXAFORTIDE

Primary Definition