(Q76507010)

English

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[3-(4-azido-2-nitroanilino)propyl-methylamino]propyl]pentanamide

chemical compound

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Statements

type of chemical entity

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chemical compound

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533.2532716000001 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

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based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₅N₉O₄S

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canonical SMILES

CN(CCCNC(=O)CCCCC1SCC2NC(=O)NC21)CCCNc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN(CCCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-])CCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3

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Identifiers

InChI=1S/C23H35N9O4S/c1-31(12-4-10-25-17-9-8-16(29-30-24)14-19(17)32(35)36)13-5-11-26-21(33)7-3-2-6-20-22-18(15-37-20)27-23(34)28-22/h8-9,14,18,20,22,25H,2-7,10-13,15H2,1H3,(H,26,33)(H2,27,28,34)/t18-,20-,22-/m0/s1

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BRLRJZRHRJEWJY-VCOUNFBDSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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PubChemLite tier0 and tier1

UniChem compound ID

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matched by identifier from

BRLRJZRHRJEWJY-VCOUNFBDSA-N

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