(Q27149203)

PubChem

PubChem CID

23724556

Echinomycin (English)

8 October 2016

isomeric SMILES

CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)[C@@H](COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C

1 reference

Echinomycin (English)

InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)/t27?,28?,35-,36-,37?,38?,39?,40?,51?/m1/s1

8 October 2016

Commons category

Echinomycin

0 references

Identifiers

InChI

1 reference

Echinomycin (English)

AUJXLBOHYWTPFV-MXGHYKICSA-N

8 October 2016

InChIKey

2 references

Echinomycin (English)

8 October 2016

ChEBI release 2020-09-01

1 reference

Quinomycin A (English)

8 October 2016

1 reference

Echinomycin (English)

8 October 2016

ChEBI ID

80052

mapping relation type

1 reference

DSSTOX compound identifier

Quinomycin A (English)

8 October 2016

1 reference

0 references

0 references

0 references

637-095-9

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.832

27 December 2018

ECHA Substance Infocard ID

N-[(4S,7R,11S,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-27-(methylsulfanyl)-3,6,10,13,16,19,23,26-octaoxo-11,24-bis(propan-2-yl)-20-(quinoxaline-2-amido)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide (English)

quotation

CAS no.: 512-64-1 (English)

100.164.832

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.832

27 December 2018