(Q104200483)

English

2-[[9-[2-(4-Hydroxyphenyl)ethyl]-6,7-dimethyl-3-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid

group of stereoisomers with the chemical formula C₃₈H₆₁N₇O₉

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

759.4530765320003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₆₁N₇O₉

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canonical SMILES

CCC(C)C(NC(=O)NC1CCCCNC(=O)C(CC(C)C)NC(=O)C(C)N(C)C(=O)C(CCc2ccc(O)cc2)NC(=O)C(C(C)C)NC1=O)C(=O)O

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Identifiers

InChI

InChI=1S/C38H61N7O9/c1-9-23(6)31(37(52)53)44-38(54)42-27-12-10-11-19-39-33(48)29(20-21(2)3)41-32(47)24(7)45(8)36(51)28(18-15-25-13-16-26(46)17-14-25)40-35(50)30(22(4)5)43-34(27)49/h13-14,16-17,21-24,27-31,46H,9-12,15,18-20H2,1-8H3,(H,39,48)(H,40,50)(H,41,47)(H,43,49)(H,52,53)(H2,42,44,54)

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InChIKey

WPCJIMNKFPGERC-UHFFFAOYSA-N

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PubChem CID

73800257

1 reference

based on heuristic

inferred from InChIKey

(Q104200483)

2-[[9-[2-(4-Hydroxyphenyl)ethyl]-6,7-dimethyl-3-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid

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