AT-814

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C136H199N37O31S
Molecular Weight	2880.33
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC7=CNC8=C7C=CC=C8)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC9=CC=C(O)C=C9)C(=O)N%10CCC[C@H]%10C(O)=O

InChI

InChIKey=RCGWMXCNCAQVCQ-BANLBMMHSA-N

InChI=1S/C136H199N37O31S/c1-73(2)110(129(198)151-69-107(178)155-91(33-17-20-51-137)118(187)157-93(36-23-54-146-135(141)142)117(186)154-76(7)113(182)153-77(8)114(183)162-101(63-82-66-149-90-32-16-14-30-87(82)90)126(195)170-111(74(3)4)130(199)161-92(34-18-21-52-138)122(191)169-112(75(5)6)131(200)167-103(61-80-42-46-85(177)47-43-80)133(202)173-57-26-39-106(173)134(203)204)171-128(197)105-38-25-56-172(105)132(201)97(35-19-22-53-139)156-108(179)68-150-116(185)100(62-81-65-148-89-31-15-13-29-86(81)89)165-119(188)94(37-24-55-147-136(143)144)158-123(192)99(59-78-27-11-10-12-28-78)164-125(194)102(64-83-67-145-72-152-83)166-120(189)95(48-49-109(180)181)159-121(190)96(50-58-205-9)160-127(196)104(71-175)168-124(193)98(163-115(184)88(140)70-174)60-79-40-44-84(176)45-41-79/h10-16,27-32,40-47,65-67,72-77,88,91-106,110-112,148-149,174-177H,17-26,33-39,48-64,68-71,137-140H2,1-9H3,(H,145,152)(H,150,185)(H,151,198)(H,153,182)(H,154,186)(H,155,178)(H,156,179)(H,157,187)(H,158,192)(H,159,190)(H,160,196)(H,161,199)(H,162,183)(H,163,184)(H,164,194)(H,165,188)(H,166,189)(H,167,200)(H,168,193)(H,169,191)(H,170,195)(H,171,197)(H,180,181)(H,203,204)(H4,141,142,146)(H4,143,144,147)/t76-,77-,88-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,110-,111-,112-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C136H199N37O31S
Molecular Weight	2880.33
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	22 / 22
E/Z Centers	15
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:00:19 GMT 2023` Edited by `admin` on `Sat Dec 16 11:00:19 GMT 2023`
Record UNII	4774551VQI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AT-814

Common Name

English

L-PROLINE, L-SERYL-L-TYROSYL-L-SERYL-L-METHIONYL-L-.ALPHA.-GLUTAMYL-L-HISTIDYL-L-PHENYLALANYL-L-ARGINYL-L-TRYPTOPHYLGLYCYL-L-LYSYL-L-PROLYL-L-VALYLGLYCYL-L-LYSYL-L-ARGINYL-L-ALANYL-L-ALANYL-L-TRYPTOPHYL-L-VALYL-L-LYSYL-L-VALYL-L-TYROSYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

4774551VQI

Created by admin on Sat Dec 16 11:00:19 GMT 2023 , Edited by admin on Sat Dec 16 11:00:19 GMT 2023

PRIMARY

PUBCHEM

72941940

Created by admin on Sat Dec 16 11:00:19 GMT 2023 , Edited by admin on Sat Dec 16 11:00:19 GMT 2023

PRIMARY

CAS

887127-86-8

Created by admin on Sat Dec 16 11:00:19 GMT 2023 , Edited by admin on Sat Dec 16 11:00:19 GMT 2023

PRIMARY

Related Record Type Details


					4774551VQI

AT-814

ACTIVE MOIETY