(Q104972367)

English

methyl 3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1⁶,⁹.1¹¹,¹⁴.1¹⁶,¹⁹.0²,⁷]heptacosa-1(24),2(7),6(27),9,11(26),12,14,16,18,20-decaen-23-yl]propanoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

cyclic tetrapyrrole

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mass

578.252920188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1⁶,⁹.1¹¹,¹⁴.1¹⁶,¹⁹.0²,⁷]heptacosa-1(24),2(7),6(27),9,11(26),12,14,16,18,20-decaen-23-yl]propanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₃₄N₄O₅

0 references

canonical SMILES

O=C1OC(=O)C=2C=3NC(=CC4=NC(=CC=5NC(C=C6N=C(C13)C(CCC(=O)OC)C6C)=C(C5C=C)C)C(=C4CC)C)C2C

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isomeric SMILES

C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)OC4=O)[C@@H](CCC(=O)OC)[C@@H]3C

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Identifiers

InChI

InChI=1S/C34H34N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(39)42-7)31(37-24)30-32-29(33(40)43-34(30)41)18(6)25(38-32)14-27-20(9-2)16(4)23(36-27)13-26(19)35-22/h8,12-14,17,21,35,38H,1,9-11H2,2-7H3/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,31-30+/t17-,21-/m0/s1

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InChIKey

CYJMOKFTYFAWKO-FRDTYIDUSA-N

0 references

(Q104972367)

methyl 3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1⁶,⁹.1¹¹,¹⁴.1¹⁶,¹⁹.0²,⁷]heptacosa-1(24),2(7),6(27),9,11(26),12,14,16,18,20-decaen-23-yl]propanoate

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