CERULETIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C58H73N13O21S2
Molecular Weight	1352.405
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCC(=O)N2)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC3=CNC4=CC=CC=C34)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC5=CC=CC=C5)C(N)=O

InChI

InChIKey=YRALAIOMGQZKOW-HYAOXDFASA-N

InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C58H73N13O21S2
Molecular Weight	1352.405
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:29:40 UTC 2023` Edited by `admin` on `Fri Dec 15 15:29:40 UTC 2023`
Record UNII	888Y08971B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CERULETIDE

Official Name

English

CERULEIN

Common Name

English

CERULETIDE [USAN]

Common Name

English

5-OXO-L-PROLYL-L-GLUTAMINYL-L-A-ASPARTYL-O-SULFO-L-TYROSYL-L-THREONYLGLYCYL-L-TRYPTOPHYL-L-METHIONYL-L-.ALPHA.-ASPARTYL-L-PHENYLALANINAMIDE

Common Name

English

Ceruletide [WHO-DD]

Common Name

English

CERULETIDE [MART.]

Common Name

English

CAERULEIN

Common Name

English

PGLU-GLN-ASP-TYR(SO3H)-THR-GLY-TRP-MET-ASP-PHE-NH2

Common Name

English

ceruletide [INN]

Common Name

English

5-OXO-L-PROLYL-L-GLUTAMINYL-L-ASPARTYL-L-TYROSYL-L-THREONYLGLYCYL-L-TRYPTOPHYL-L-METHIONYL-L-ASPARTYLPHENYL-L-ALANINAMIDE 4-(HYDROGEN SULFATE) (ESTER)

Common Name

English

CERULETIDE [MI]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QV04CC04