Zopocianine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C74H93N7O27S4
Molecular Weight	1640.821
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)C4=CC=C(C=C4C3(C)C)S(O)(=O)=O)=C2OC5=CC=C(C[C@H](NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)CCOCCOCCNC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C=C5)N(CCCCS(O)(=O)=O)C7=CC=C(C=C17)S(O)(=O)=O

InChI

InChIKey=KPIFKEKRKCVGMU-HQOHQVRUSA-N

InChI=1S/C74H93N7O27S4/c1-73(2)54-45-52(111(100,101)102)23-27-60(54)80(35-8-10-41-109(94,95)96)62(73)29-19-49-15-12-16-50(20-30-63-74(3,4)55-46-53(112(103,104)105)24-28-61(55)81(63)36-9-11-42-110(97,98)99)67(49)108-51-21-17-48(18-22-51)44-59(71(91)92)77-68(86)58(43-47-13-6-5-7-14-47)76-65(83)33-37-106-39-40-107-38-34-75-64(82)31-25-56(69(87)88)78-72(93)79-57(70(89)90)26-32-66(84)85/h5-7,13-14,17-24,27-30,45-46,56-59H,8-12,15-16,25-26,31-44H2,1-4H3,(H12-,75,76,77,78,79,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105)/t56-,57-,58-,59-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C74H93N7O27S4
Molecular Weight	1640.821
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:01:50 GMT 2025` Edited by `admin` on `Wed Apr 02 17:01:50 GMT 2025`
Record UNII	UD9V5S9M7A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Zopocianine

Official Name

English

4-{2-[(E)-(2-{4-[(2S,5S,20S,24S)-5-benzyl-2,20,24,26-tetracarboxy-4,7,17,22-tetraoxo-10,13-dioxa-3,6,16,21,23-pentaazahexacosyl]phenoxy}-3-{(E)-2-[(2E)-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl)eth

Preferred Name

English

OTL78

Code

English

L-Tyrosine, N-[[[(1S)-1,3-dicarboxypropyl]amino]carbonyl]-L-g-glutamyl-3-[2-(2-aminoethoxy)ethoxy]propanoyl-L-phenylalanyl-O-[6-[2-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-2-[2-[3,3-dimethyl-5-sulfo-1-(4-sulfobuty

Systematic Name

English

ZOPOCIANINE [USAN]

Common Name

English

zopocianine [INN]

Common Name

English

OTL-0078

Code

English

Code System Code Type Description

SMS_ID

300000051690