RAMORELIX

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C74H95ClN16O18
Molecular Weight	1532.096
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@@H](CC5=CC=C(Cl)C=C5)NC(=O)[C@@H](CC6=CC=C7C=CC=CC7=C6)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N8CCC[C@H]8C(=O)NNC(N)=O

InChI

InChIKey=WDYSQADGBBEGRQ-APSDYLPASA-N

InChI=1S/C74H95ClN16O18/c1-38(2)29-52(63(98)82-51(15-9-27-79-73(76)77)71(106)91-28-10-16-59(91)70(105)89-90-74(78)107)83-69(104)58(37-108-72-62(97)61(96)60(95)39(3)109-72)88-66(101)55(32-42-20-25-48(94)26-21-42)85-68(103)57(36-92)87-67(102)56(34-46-35-80-50-14-8-7-13-49(46)50)86-65(100)54(31-41-18-23-47(75)24-19-41)84-64(99)53(81-40(4)93)33-43-17-22-44-11-5-6-12-45(44)30-43/h5-8,11-14,17-26,30,35,38-39,51-62,72,80,92,94-97H,9-10,15-16,27-29,31-34,36-37H2,1-4H3,(H,81,93)(H,82,98)(H,83,104)(H,84,99)(H,85,103)(H,86,100)(H,87,102)(H,88,101)(H,89,105)(H4,76,77,79)(H3,78,90,107)/t39-,51-,52-,53+,54+,55-,56+,57-,58+,59-,60-,61+,62+,72+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C74H95ClN16O18
Molecular Weight	1532.096
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:01:51 UTC 2023` Edited by `admin` on `Fri Dec 15 16:01:51 UTC 2023`
Record UNII	7981LI6QXL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RAMORELIX

Official Name

English

1-(N-ACETYL-3-(2-NAPHTHYL)-D-ALANYL-P-CHLORO-D-PHENYLALANYL-D-TRYPTOPHYL-L-SERYL-L-TYROSYL-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-D-SERYL-L-LEUCYL-L-ARGINYL-L-PROLYL)SEMICARBAZIDE

Common Name

English

L-PROLINE, N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-D-TRYPTOPHYL-L-SERYL-L-TYROSYL-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-D-SERYL- L-LEUCYL-L-ARGINYL-, 2-(AMINOCARBONYL)HYDRAZIDE

Common Name

English

ramorelix [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2092