(Q105288898)

English

2-[[[(6S)-2,6-diamino-3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-5-oxoheptanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]carbamoyl]amino]-3-phenylpropanoic acid

group of stereoisomers with the chemical formula C₃₆H₄₄N₈O₁₁

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Statements

instance of

group of stereoisomers

0 references

1 reference

764.312954228 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₄N₈O₁₁

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canonical SMILES

CC(N)C(=O)CC(C(N)C(=O)N(C=C1CC(O)C(n2ccc(O)nc2=O)O1)C(=O)NC(Cc1ccccc1)C(=O)O)N(C)C(=O)C(N)Cc1cccc(O)c1

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isomeric SMILES

C[C@H](N)C(=O)CC(C(N)C(=O)N(/C=C1\CC(O)C(n2ccc(O)nc2=O)O1)C(=O)NC(Cc1ccccc1)C(=O)O)N(C)C(=O)[C@@H](N)Cc1cccc(O)c1

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found in taxon

Streptomyces coeruleorubidus

2 references

stated in

Pacidamycins, a novel series of antibiotics with anti-Pseudomonas aeruginosa activity. II. Isolation and structural elucidation

stated in

Pacidamycins, a novel series of antibiotics with anti-Pseudomonas aeruginosa activity. II. Isolation and structural elucidation

Identifiers

InChI

InChI=1S/C36H44N8O11/c1-19(37)27(46)17-26(42(2)31(49)24(38)14-21-9-6-10-22(45)13-21)30(39)32(50)44(35(53)40-25(34(51)52)15-20-7-4-3-5-8-20)18-23-16-28(47)33(55-23)43-12-11-29(48)41-36(43)54/h3-13,18-19,24-26,28,30,33,45,47H,14-17,37-39H2,1-2H3,(H,40,53)(H,51,52)(H,41,48,54)/b23-18+/t19-,24-,25?,26?,28?,30?,33?/m0/s1

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InChIKey

VMCKHEAYHSISAM-RINAREHVSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105288898)

2-[[[(6S)-2,6-diamino-3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-5-oxoheptanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]carbamoyl]amino]-3-phenylpropanoic acid

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Identifiers

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