AP-102

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H66I2N12O10S2
Molecular Weight	1313.072
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC(I)=C(O)C=C4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)CC5=CC=C(N)C(I)=C5

InChI

InChIKey=ISZMJWBQCGWNNM-DQIXCUPKSA-N

InChI=1S/C50H66I2N12O10S2/c1-24(2)41-50(74)62-39(49(73)64-42(25(3)65)43(56)67)23-76-75-22-38(61-44(68)33(55)18-26-11-13-32(54)30(51)16-26)48(72)59-36(19-27-12-14-40(66)31(52)17-27)46(70)60-37(20-28-21-57-34-9-5-4-8-29(28)34)47(71)58-35(45(69)63-41)10-6-7-15-53/h4-5,8-9,11-14,16-17,21,24-25,33,35-39,41-42,57,65-66H,6-7,10,15,18-20,22-23,53-55H2,1-3H3,(H2,56,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,74)(H,63,69)(H,64,73)/t25-,33-,35+,36+,37-,38+,39+,41+,42+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C50H66I2N12O10S2
Molecular Weight	1313.072
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 `Sat Dec 16 13:28:32 GMT 2023` Edited by `admin` on `Sat Dec 16 13:28:32 GMT 2023`
Record UNII	EW91FWW4HC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AP-102

Common Name

English

L-THREONINAMIDE, 4-AMINO-3-IODO-D-PHENYLALANYL-L-CYSTEINYL-3-IODO-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-VALYL-L-CYSTEINYL-, CYCLIC (2->7)-DISULFIDE

Systematic Name

English

H-(4-AMINO-3-IODO)-D-PHE-C(CYS-(3-IODO)-TYR-D-TRP-LYS-VAL-CYS)-THR-NH2

Common Name

English

AP102

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

540916