(Q105112822)

English

N-[(2S)-1-[[(3S,6R,9R,12S,15R,16R)-12-Benzyl-3,6-bis(3,5-dihydroxyphenyl)-9-(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrole-2-carboxamide

chemical compound

In more languages

default for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

939.284212212 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₄₆ClN₇O₁₃

0 references

canonical SMILES

CC1OC(=O)C(c2cc(O)cc(O)c2)NC(=O)C(c2cc(O)cc(O)c2)NC(=O)C(CO)NC(=O)C(Cc2ccccc2)NC(=O)C1NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)[nH]1

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isomeric SMILES

C[C@H]1OC(=O)[C@H](c2cc(O)cc(O)c2)NC(=O)[C@@H](c2cc(O)cc(O)c2)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)[nH]1

0 references

2 references

Additional cochinmicins from a Microbispora sp

Additional cochinmicins from a Microbispora sp

Identifiers

InChI=1S/C46H46ClN7O13/c1-23-37(52-42(62)34(15-25-10-6-3-7-11-25)49-40(60)32-12-13-36(47)48-32)44(64)50-33(14-24-8-4-2-5-9-24)41(61)51-35(22-55)43(63)53-38(26-16-28(56)20-29(57)17-26)45(65)54-39(46(66)67-23)27-18-30(58)21-31(59)19-27/h2-13,16-21,23,33-35,37-39,48,55-59H,14-15,22H2,1H3,(H,49,60)(H,50,64)(H,51,61)(H,52,62)(H,53,63)(H,54,65)/t23-,33+,34+,35-,37-,38-,39+/m1/s1

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IGUQVVLOCYHROT-SUDNLDJISA-N

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2 references

26 December 2021

matched by identifier from

IGUQVVLOCYHROT-SUDNLDJISA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C46H46ClN7O13/c1-23-37(52-42(62)34(15-25-10-6-3-7-11-25)49-40(60)32-12-13-36(47)48-32)44(64)50-33(14-24-8-4-2-5-9-24)41(61)51-35(22-55)43(63)53-38(26-16-28(56)20-29(57)17-26)45(65)54-39(46(66)67-23)27-18-30(58)21-31(59)19-27/h2-13,16-21,23,33-35,37-39,48,55-59H,14-15,22H2,1H3,(H,49,60)(H,50,64)(H,51,61)(H,52,62)(H,53,63)(H,54,65)/t23-,33+,34+,35-,37-,38-,39+/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IGUQVVLOCYHROT-SUDNLDJISA-N

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