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Substance Name: AT-814
RN: 887127-86-8
UNII: 4774551VQI
InChIKey: RCGWMXCNCAQVCQ-BANLBMMHSA-N

Molecular Formula

  • C136-H199-N37-O31-S

Molecular Weight

  • 2880.3621
 
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Names and Synonyms

Name of Substance

  • AT-814

Synonyms

  • AT-814
  • 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-
  • UNII-4774551VQI

Registry Numbers

CAS Registry Number

  • 887127-86-8

FDA UNII

  • 4774551VQI

System Generated Number

  • 0887127868

Structure Descriptors

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

InChIKey

RCGWMXCNCAQVCQ-BANLBMMHSA-N

Smiles

C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)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](Cc3ccc(cc3)O)C(=O)N4CCC[C@H]4C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc6c[nH]c7c6cccc7)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc8ccccc8)NC(=O)[C@H](Cc9c[nH]cn9)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CO)N