SELEPRESSIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H73N13O11S2
Molecular Weight	1048.282
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
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](CCCC(N)=O)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O

InChI

InChIKey=JCVQBJTWWDYUFQ-MRUTUVJXSA-N

InChI=1S/C46H73N13O11S2/c1-5-26(4)38-45(69)54-30(14-9-17-35(48)60)41(65)56-32(21-36(49)61)42(66)57-33(24-72-71-23-28(47)39(63)55-31(43(67)58-38)20-27-12-7-6-8-13-27)46(70)59-19-11-16-34(59)44(68)53-29(15-10-18-51-25(2)3)40(64)52-22-37(50)62/h6-8,12-13,25-26,28-34,38,51H,5,9-11,14-24,47H2,1-4H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,52,64)(H,53,68)(H,54,69)(H,55,63)(H,56,65)(H,57,66)(H,58,67)/t26-,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C46H73N13O11S2
Molecular Weight	1048.282
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:50:13 UTC 2023` Edited by `admin` on `Sat Dec 16 01:50:13 UTC 2023`
Record UNII	8P2T76M0SJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SELEPRESSIN

Official Name

English

SELEPRESSIN [USAN]

Common Name

English

(2-L-PHENYLALANINE,3-L-ISOLEUCINE,4-(6-OXO-L-LYSINE), 8-(5-N-(PROPAN-2-YL)-L-ORNITHINE))HUMAN VASOPRESSIN

Systematic Name

English

GLYCINAMIDE, L-CYSTEINYL-L-PHENYLALANYL-L-ISOLEUCYL-6-OXO-L-LYSYL-L-ASPARAGINYL-L-CYSTEINYL-L-PROLYL-N5-(1-METHYLETHYL)-L-ORNITHYL-, CYCLIC (1-6)-DISULFIDE

Common Name

English

FE202158

Code

English

Selepressin [WHO-DD]

Common Name

English

selepressin [INN]

Common Name

English

FE-202158

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C80212