(Q108730890)

English

(3R)-3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

652.3517397480001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

1 reference

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C₂₅H₄₄N₁₄O₇

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canonical SMILES

CC1NC(=O)C(N)CNC(=O)C(C2CCN=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)C(CNC(=O)CC(N)CCCN)NC1=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1C(N[C@@H](CNC(C[C@H](N)CCCN)=O)C(N/C(C(N[C@@H]([C@H]2CCN=C(N)N2)C(NC[C@H](N)C(N1)=O)=O)=O)=C\NC(N)=O)=O)=O

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Identifiers

InChI

InChI=1S/C25H44N14O7/c1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b16-10-/t11-,12+,13-,14+,15-,18-/m0/s1

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InChIKey

FRXNXDHFQYZYNA-XYHSJSFUSA-N

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PubChem CID

139588694

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matched by identifier from

InChIKey

FRXNXDHFQYZYNA-XYHSJSFUSA-N

ChEBI ID

218654

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C25H44N14O7/c1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b16-10-/t11-,12+,13-,14+,15-,18-/m0/s1

1 reference

Natural Product Atlas ID

NPA020114

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FRXNXDHFQYZYNA-XYHSJSFUSA-N

(Q108730890)

(3R)-3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide

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