N-(2-aminophenyl)-4-[[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide (Q27223263)

BRD-K76938712-001-01-2 (English)

N-(2-aminophenyl)-4-[[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

12 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-(2-aminophenyl)-4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

2 references

inferred from InChIKey

N-(2-aminophenyl)-4-[[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

2 references

inferred from InChIKey

N-(2-aminophenyl)-4-[[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

N-(2-aminophenyl)-4-[[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

1 reference

chemical formula

C₄₀H₄₂N₆O₅S

1 reference

BRD-K76938712-001-01-2 (English)

12 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=C(C=C3)C4=NC=CS4)OC1CN(C)CC5=CC=C(C=C5)C(=O)NC6=CC=CC=C6N)C(C)CO

1 reference

BRD-K76938712-001-01-2 (English)

12 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=C(C=C3)C4=NC=CS4)O[C@H]1CN(C)CC5=CC=C(C=C5)C(=O)NC6=CC=CC=C6N)[C@@H](C)CO

1 reference

BRD-K76938712-001-01-2 (English)

InChI=1S/C40H42N6O5S/c1-25-21-46(26(2)24-47)40(50)31-7-6-10-34(44-38(49)29-15-17-30(18-16-29)39-42-19-20-52-39)36(31)51-35(25)23-45(3)22-27-11-13-28(14-12-27)37(48)43-33-9-5-4-8-32(33)41/h4-20,25-26,35,47H,21-24,41H2,1-3H3,(H,43,48)(H,44,49)/t25-,26+,35+/m1/s1

12 October 2016

Identifiers

InChI

1 reference

BRD-K76938712-001-01-2 (English)

UIWHTZIAIXNFGN-AWYDNWMNSA-N

12 October 2016

InChIKey

2 references

BRD-K76938712-001-01-2 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K76938712-001-01-2 (English)

matched by identifier from

12 October 2016

InChIKey

UIWHTZIAIXNFGN-AWYDNWMNSA-N

ChEBI ID

129923

mapping relation type

2 references

N-(2-aminophenyl)-4-[[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide (English)