Invopressin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C110H161N31O27S2
Molecular Weight	2413.777
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCNC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H](CC6=CC=C(OC)C=C6)NC(=O)CC7=CC=CC=C7)C(N)=O)C(=O)NCC(N)=O

InChI

InChIKey=GWRWHCLGMDWCIR-FQEGLUSVSA-N

InChI=1S/C110H161N31O27S2/c1-6-60(2)91-107(165)133-74(39-42-85(114)144)99(157)137-80(56-87(116)146)103(161)138-81(59-170-169-58-69(112)94(152)134-78(104(162)139-91)52-64-25-12-8-13-26-64)109(167)141-50-22-33-83(141)106(164)132-75(96(154)125-57-88(117)147)44-48-123-93(151)68(111)29-16-18-46-122-95(153)71(30-17-19-45-121-62(4)142)127-89(148)43-40-70(92(118)150)129-97(155)72(31-20-47-124-110(119)120)131-105(163)82-32-21-49-140(82)108(166)61(3)126-100(158)79(55-86(115)145)136-98(156)73(38-41-84(113)143)130-102(160)77(51-63-23-10-7-11-24-63)135-101(159)76(53-66-34-36-67(168-5)37-35-66)128-90(149)54-65-27-14-9-15-28-65/h7-15,23-28,34-37,60-61,68-83,91H,6,16-22,29-33,38-59,111-112H2,1-5H3,(H2,113,143)(H2,114,144)(H2,115,145)(H2,116,146)(H2,117,147)(H2,118,150)(H,121,142)(H,122,153)(H,123,151)(H,125,154)(H,126,158)(H,127,148)(H,128,149)(H,129,155)(H,130,160)(H,131,163)(H,132,164)(H,133,165)(H,134,152)(H,135,159)(H,136,156)(H,137,157)(H,138,161)(H,139,162)(H4,119,120,124)/t60-,61-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,91-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C110H161N31O27S2
Molecular Weight	2413.777
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	11
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:05:47 GMT 2023` Edited by `admin` on `Sat Dec 16 10:05:47 GMT 2023`
Record UNII	GT7UX45K55
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Invopressin

Official Name

English

[Phe^2,Ile^3,Dab(PhAc-D-Tyr(Me)-Phe-Gln-Asn-Ala-Pro-Arg-iGln-Lys(Ac)-Epsilon-Lys)^8]vasopressin

Common Name

English

OCE-205

Code

English

Glycinamide, L-cysteinyl-L-phenylalanyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-(2S)-4-[[N6-(N6-acetyl-L-lysyl)-L-lysyl]amino]-2-aminobutanoyl-, cyclic (1→6)-disulfide, (8′′′→1′′)-amide with O-methyl-N-(2-phenylacetyl)-D

Common Name

English

invopressin [INN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

780020