ALTERNATIVE DEFINITION for [TNC 3-11 (AMTQLLAGV)]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H70N10O12S
Molecular Weight	903.098
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [TNC 3-11 (AMTQLLAGV)]

Structure Search

SMILES

CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C(C)C)C(O)=O

InChI

InChIKey=ZBXCEPVFHFBOKJ-UGVUMALKSA-N

InChI=1S/C39H70N10O12S/c1-18(2)15-26(36(57)43-22(8)33(54)42-17-29(52)48-30(20(5)6)39(60)61)47-37(58)27(16-19(3)4)46-34(55)24(11-12-28(41)51)45-38(59)31(23(9)50)49-35(56)25(13-14-62-10)44-32(53)21(7)40/h18-27,30-31,50H,11-17,40H2,1-10H3,(H2,41,51)(H,42,54)(H,43,57)(H,44,53)(H,45,59)(H,46,55)(H,47,58)(H,48,52)(H,49,56)(H,60,61)/t21-,22-,23+,24-,25-,26-,27-,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H70N10O12S
Molecular Weight	903.098
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:26:30 GMT 2025` Edited by `admin` on `Wed Apr 02 08:26:30 GMT 2025`
Record UNII	6OS4U1F2EG
Record Status	`alternative`
Record Version

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					6OS4U1F2EG

TNC 3-11 (AMTQLLAGV)

Related Record Type Details


					6OS4U1F2EG

TNC 3-11 (AMTQLLAGV)

Primary Definition