(Q27134791)

(10S,11S,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide (English)

retrieved

7 October 2016

stereoisomer of

TMC-95A

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(10R,11R,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-[[(3S)-3-methyl-2-oxopentanoyl]amino]-9,14,17-trioxo-N-[(E)-prop-1-enyl]-8,13,16-triazatetracyclo[18.3.1.02,7.06,10]tetracosa-1(23),2(7),3,5,20(24),21-hexaene-12-carboxamide

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

(10R,11S,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-[[(3S)-3-methyl-2-oxopentanoyl]amino]-9,14,17-trioxo-N-[(E)-prop-1-enyl]-8,13,16-triazatetracyclo[18.3.1.02,7.06,10]tetracosa-1(23),2(7),3,5,20(24),21-hexaene-12-carboxamide

1 reference

1 reference

1 reference

1 reference

C₃₃H₃₈N₆O₁₀

1 reference

language of work or name

English

title

(10S,11S,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide (English)

retrieved

7 October 2016

canonical SMILES

CCC(C)C(=O)C(=O)NC1CC2=CC(=C(C=C2)O)C3=C4C(=CC=C3)C(C(C(NC(=O)C(NC1=O)CC(=O)N)C(=O)NC=CC)O)(C(=O)N4)O

1 reference

language of work or name

English

title

(10S,11S,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide (English)

retrieved

7 October 2016

isomeric SMILES

CC[C@@H](C)C(=O)C(=O)N[C@H]1CC2=CC(=C(C=C2)O)C3=C4C(=CC=C3)[C@]([C@H]([C@H](NC(=O)[C@@H](NC1=O)CC(=O)N)C(=O)N/C=C\C)O)(C(=O)N4)O

1 reference

language of work or name

English

title

(10S,11S,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide (English)

retrieved

7 October 2016

Identifiers

InChI

InChI=1S/C33H38N6O10/c1-4-11-35-30(46)25-27(43)33(49)19-8-6-7-17(24(19)39-32(33)48)18-12-16(9-10-22(18)40)13-20(37-31(47)26(42)15(3)5-2)28(44)36-21(14-23(34)41)29(45)38-25/h4,6-12,15,20-21,25,27,40,43,49H,5,13-14H2,1-3H3,(H2,34,41)(H,35,46)(H,36,44)(H,37,47)(H,38,45)(H,39,48)/b11-4-/t15-,20 ,21 ,25 ,27 ,33 /m1/s1

1 reference

language of work or name

English

title

(10S,11S,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide (English)

retrieved

7 October 2016

InChIKey

ZIAXNZCTODBCKW-WYRJOJSMSA-N

2 references

language of work or name

English

title

(10S,11S,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide (English)

retrieved

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

(10S,11S,12S,15S,18S)-15-(2-Amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-1-propen-1-yl]-8,13,16-triazatetracyclo[18.3.1.0~2,7~.0~6,10~]tetracos (English)

7 October 2016

2 references

language of work or name

English

title

(10S,11S,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide (English)

retrieved

7 October 2016

matched by identifier from

InChIKey

ZIAXNZCTODBCKW-WYRJOJSMSA-N

ChEBI ID

66248

mapping relation type

exact match

2 references

stated in

ChEBI