(Q76755343)

English

methyl N-[(15S)-15-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

589.1952780559999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₂₈ClN₉O₄

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canonical SMILES

COC(=O)Nc1ccc-2c(c1)NC(=O)CCCCCC(c3[nH]cc2n3)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl

1 reference

stated in

RCSB protein data bank

PDB ligand ID

7DK

language of work or name

English

retrieved

16 February 2021

isomeric SMILES

COC(=O)NC1=CC2=C(C=C1)C3=CN=C(N3)[C@H](CCCCCC(=O)N2)NC(=O)/C=C/C4=C(C=CC(=C4)Cl)N5C=NN=N5

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Identifiers

InChI

InChI=1S/C28H28ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h7-16,21H,2-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b12-7+/t21-/m0/s1

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InChIKey

VWVJGQUMBHIISP-SQEWALACSA-N

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PubChem CID

66744599

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matched by identifier from

InChIKey

VWVJGQUMBHIISP-SQEWALACSA-N

1 reference

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(Q76755343)

methyl N-[(15S)-15-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate

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