(Q108730714)

English

(E)-N-[3-[(2S,17S,20S,23S)-17-(3-amino-3-oxopropyl)-20,23-bis[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6,9,12,15,18,21,24-octaoxo-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]propyl]-N,5-dihydroxy-3-methylpent-2-enamide

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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1,082.5244035280002 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₆H₇₄N₁₂O₁₈

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canonical SMILES

CC(=CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)C=C(C)CCO)NC(=O)C(CCCN(O)C(=O)C=C(C)CCO)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC1=O)CCO

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C/C(=C\C(=O)N(CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN(C(=O)/C=C(\C)/CCO)O)CCCN(C(=O)/C=C(\C)/CCO)O)CCC(=O)N)O)/CCO

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Identifiers

InChI=1S/C46H74N12O18/c1-28(12-18-59)21-40(67)56(74)15-4-7-31-43(70)51-26-38(65)49-24-36(63)48-25-37(64)50-27-39(66)52-34(10-11-35(47)62)46(73)55-33(9-6-17-58(76)42(69)23-30(3)14-20-61)45(72)54-32(44(71)53-31)8-5-16-57(75)41(68)22-29(2)13-19-60/h21-23,31-34,59-61,74-76H,4-20,24-27H2,1-3H3,(H2,47,62)(H,48,63)(H,49,65)(H,50,64)(H,51,70)(H,52,66)(H,53,71)(H,54,72)(H,55,73)/b28-21+,29-22+,30-23+/t31-,32-,33-,34-/m0/s1

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based on heuristic

inferred from SMILES

ZYMBDGAKDFBIOX-MQGQGTHPSA-N

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1 reference

matched by identifier from

ZYMBDGAKDFBIOX-MQGQGTHPSA-N

UniChem compound ID

1 reference

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