API | echinomycin

echinomycin Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

1101.257

ALogP

Rule of 5

Rule of 3

Missing data

Details

SMILES: CSC1SC[C@@H]2N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@H](C(C)C)N(C)C2=O)NC(=O)C3=CN=C4C=CC=CC4=N3)NC(=O)C5=CN=C6C=CC=CC6=N5
InChIKey: AUJXLBOHYWTPFV-VITLIGDRSA-N
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?/m0/s1
Chirality: None
Inorganic: Missing data
Polymer: Missing data

Sources

TG824J6RQT NCATS
echinomycin *

Echinomycin Wikipedia

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