(Q104203215)

English

4-[[5-Benzyl-8-butan-2-yl-15-[3-(diaminomethylideneamino)propyl]-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid

group of stereoisomers with the chemical formula C₄₇H₇₄N₁₀O₁₂

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

970.5487678080001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₇H₇₄N₁₀O₁₂

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canonical SMILES

CCCCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CCCNC(=N)N)C(=O)NC2CCC(OC)N(C2=O)C(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(C)CC)C(=O)OC1C

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Identifiers

InChI

InChI=1S/C47H74N10O12/c1-9-11-13-20-34(58)51-32(25-36(59)60)41(62)55-38-28(6)69-46(67)37(27(5)10-2)54-42(63)33(24-29-17-14-12-15-18-29)56(7)45(66)39(26(3)4)57-35(68-8)22-21-31(44(57)65)53-40(61)30(52-43(38)64)19-16-23-50-47(48)49/h12,14-15,17-18,26-28,30-33,35,37-39H,9-11,13,16,19-25H2,1-8H3,(H,51,58)(H,52,64)(H,53,61)(H,54,63)(H,55,62)(H,59,60)(H4,48,49,50)

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InChIKey

SEXRIOQKYUTUPP-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

SEXRIOQKYUTUPP-UHFFFAOYSA-N

(Q104203215)

4-[[5-Benzyl-8-butan-2-yl-15-[3-(diaminomethylideneamino)propyl]-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid

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