ATILMOTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C86H134N20O19
Molecular Weight	1752.1068
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@]([H])(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CC3=CC=CC=C3)[N+](C)(C)C)C(C)C)[C@@H](C)CC)([C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)NCC(=O)N[C@@H](CCC([O-])=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O

InChI

InChIKey=DUQRILZXKXSRIY-RUBJUKRASA-N

InChI=1S/C86H134N20O19/c1-13-51(8)71(103-81(121)65-30-23-41-105(65)85(125)70(50(6)7)102-82(122)66(106(10,11)12)46-54-26-18-15-19-27-54)83(123)101-64(44-53-24-16-14-17-25-53)80(120)104-72(52(9)107)84(124)100-63(45-55-31-33-56(108)34-32-55)74(114)93-47-68(110)94-59(36-38-69(111)112)76(116)99-62(43-49(4)5)79(119)97-60(35-37-67(88)109)77(117)96-58(29-22-40-92-86(90)91)75(115)98-61(42-48(2)3)78(118)95-57(73(89)113)28-20-21-39-87/h14-19,24-27,31-34,48-52,57-66,70-72,107H,13,20-23,28-30,35-47,87H2,1-12H3,(H21-,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124)/t51-,52+,57-,58+,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-,72-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C86H134N20O19
Molecular Weight	1752.1068
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	5
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:18:06 UTC 2023` Edited by `admin` on `Sat Dec 16 16:18:06 UTC 2023`
Record UNII	4WQQ18VL49
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATILMOTIN

Official Name

English

L-LYSINAMIDE, N-((2S)-1-OXO-3-PHENYL-2-(TRIMETHYLAMMONIO)PROPYL)-L-VALYL-L-PROLYL-L-ISOLEUCYL-L-PHENYLALANYL-L-THREONYL-L-TYROSYLGLYCYL-L-.ALPHA.-GLUTAMYL-L-LEUCYL-L-GLUTAMINYL-D-ARGINYL-L-LEUCYL-

Systematic Name

English

ATILMOTIN [USAN]

Common Name

English

atilmotin [INN]

Common Name

English

BAX-ACC-1638

Code

English

Atilmotin [WHO-DD]

Common Name

English

OHM-11638

Code

English

MOT-288

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C548