B-10346

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C136H199N37O29
Molecular Weight	2816.2658
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@H](N(C(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCC(=O)N[C@H](CCCNC(O)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N5CCC[C@H]5C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC(=O)N[C@@H](C7CC8=C(C7)C=CC=C8)C(=O)N[C@@H](CO)C(=O)N[C@H](C9CC%10=C(C9)C=CC=C%10)C(=O)N%11[C@@H](C[C@]%12([H])CCCC[C@]%11%12[H])C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C%13CC%14=C(C%13)C=CC=C%14)C%15CC%16=C(C%15)C=CC=C%16)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI

InChIKey=XVZMTEZBCLGGKT-LLIQBGFESA-N

InChI=1S/C136H199N37O29/c137-131(138)148-47-17-35-89(113(182)158-91(37-19-48-149-132(139)140)123(192)168-53-23-43-99(168)125(194)170-69-87(176)65-101(170)117(186)154-67-107(180)164-109(83-55-73-25-5-6-26-74(73)56-83)121(190)162-95(71-174)115(184)166-111(85-59-77-29-9-10-30-78(77)60-85)127(196)172-97-41-15-13-33-81(97)63-103(172)119(188)160-93(129(198)199)39-21-50-151-134(143)144)156-105(178)45-3-1-2-4-46-106(179)157-90(36-18-52-153-136(147)202)114(183)159-92(38-20-49-150-133(141)142)124(193)169-54-24-44-100(169)126(195)171-70-88(177)66-102(171)118(187)155-68-108(181)165-110(84-57-75-27-7-8-28-76(75)58-84)122(191)163-96(72-175)116(185)167-112(86-61-79-31-11-12-32-80(79)62-86)128(197)173-98-42-16-14-34-82(98)64-104(173)120(189)161-94(130(200)201)40-22-51-152-135(145)146/h5-12,25-32,81-104,109-112,174-177H,1-4,13-24,33-72H2,(H,154,186)(H,155,187)(H,156,178)(H,157,179)(H,158,182)(H,159,183)(H,160,188)(H,161,189)(H,162,190)(H,163,191)(H,164,180)(H,165,181)(H,166,184)(H,167,185)(H,198,199)(H,200,201)(H4,137,138,148)(H4,139,140,149)(H4,141,142,150)(H4,143,144,151)(H4,145,146,152)(H3,147,153,202)/t81-,82-,87+,88+,89+,90+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,109-,110-,111+,112+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C136H199N37O29
Molecular Weight	2816.2658
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	24 / 24
E/Z Centers	8
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:14:35 GMT 2023` Edited by `admin` on `Sat Dec 16 15:14:35 GMT 2023`
Record UNII	A6Z47F6JYS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

B-10346

Code

English

N-TERMINAL AMIDE ANALOGUE OF B-9870

Common Name

English

L-ARGININE, 1,1'-(1,8-DIOXO-1,8-OCTANEDIYL)BIS(D-ARGINYL-L-ARGINYL-L-PROLYL-(4R)-4-HYDROXY-L-PROLYLGLYCYL-(2S)-2-(2,3-DIHYDRO-1H-INDEN-2-YL)GLYCYL-L-SERYL-(2R)-2-(2,3-DIHYDRO-1H-INDEN-2-YL)GLYCYL-(2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2-CARBONYL-

Systematic Name

English

(SUBERYL-(D-ARG-ARG-PRO-HYP-GLY-IGL-SER-DIGL-OIC-ARG)2

Common Name

English

1,1'-(1,8-DIOXO-1,8-OCTANEDIYL)BIS(D-ARGINYL-L-ARGINYL-L-PROLYL-(4R)-4-HYDROXY-L-PROLYLGLYCYL-(2S)-2-(2,3-DIHYDRO-1H-INDEN-2-YL)GLYCYL-L-SERYL-(2R)-2-(2,3-DIHYDRO-1H-INDEN-2-YL)GLYCYL-(2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2-CARBONYL-L-ARGININE)

Systematic Name

English

Code System Code Type Description

CAS

215713-39-6

Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023

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FDA UNII

A6Z47F6JYS

Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023

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PUBCHEM

146048058

Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023

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