(Q105024554)

English

(3S,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14,20-tetramethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

group of stereoisomers with the chemical formula C₃₀H₄₉N₅O₇

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Statements

instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

591.3631989080001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₉N₅O₇

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canonical SMILES

C=CCC1OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)CC)NC(=O)C2C(C)CCN2C1=O

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isomeric SMILES

C=CC[C@@H]1OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2C(C)CCN2C1=O

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Identifiers

InChI

InChI=1S/C30H49N5O7/c1-10-12-21-28(39)35-16-14-19(6)25(35)27(38)32-23(18(5)11-2)29(40)34(9)24(17(3)4)30(41)33(8)20(7)26(37)31-15-13-22(36)42-21/h10,17-21,23-25H,1,11-16H2,2-9H3,(H,31,37)(H,32,38)/t18-,19?,20-,21-,23-,24-,25-/m0/s1

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InChIKey

GZRXQMYGOOOMFR-JOFTUQRMSA-N

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PubChem CID

101589793

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GZRXQMYGOOOMFR-JOFTUQRMSA-N

1 reference

(Q105024554)

(3S,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14,20-tetramethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

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