Lysinyl olatansine

Details

Stereochemistry	EPIMERIC
Molecular Formula	C66H99ClN10O19S2
Molecular Weight	1436.131
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1\C=C\C=C(C)\CC2=CC(N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCCCCSCNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCSC3CC(=O)N(CCCC(=O)NCCCC[C@H](N)C(O)=O)C3=O)[C@]4(C)O[C@H]4[C@H](C)[C@@H]5C[C@@]1(O)NC(=O)O5)=C(Cl)C(OC)=C2

InChI

InChIKey=DIICPYQQFAQFTQ-YQZBMQRUSA-N

InChI=1S/C66H99ClN10O19S2/c1-37-20-17-22-49(93-11)66(91)35-47(94-64(90)74-66)38(2)57-65(7,96-57)50(34-54(81)76(9)45-31-43(30-37)32-46(92-10)56(45)67)95-63(89)42(6)75(8)53(80)25-13-12-16-28-97-36-70-58(83)39(3)72-60(85)41(5)73-59(84)40(4)71-52(79)24-19-29-98-48-33-55(82)77(61(48)86)27-18-23-51(78)69-26-15-14-21-44(68)62(87)88/h17,20,22,31-32,38-42,44,47-50,57,91H,12-16,18-19,21,23-30,33-36,68H2,1-11H3,(H,69,78)(H,70,83)(H,71,79)(H,72,85)(H,73,84)(H,74,90)(H,87,88)/b22-17+,37-20+/t38-,39+,40+,41-,42+,44+,47+,48?,49-,50+,57+,65+,66+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C66H99ClN10O19S2
Molecular Weight	1436.131
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	12 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:17:05 GMT 2025` Edited by `admin` on `Wed Apr 02 13:17:05 GMT 2025`
Record UNII	V4MU4H7BAS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Lysinyl olatansine

Preferred Name

English

Code System Code Type Description

PUBCHEM

171390011

Created by admin on Wed Apr 02 13:17:05 GMT 2025 , Edited by admin on Wed Apr 02 13:17:05 GMT 2025

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FDA UNII

V4MU4H7BAS

Created by admin on Wed Apr 02 13:17:05 GMT 2025 , Edited by admin on Wed Apr 02 13:17:05 GMT 2025

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