[3,4-Diphenylalanine,8-methionine]oxytocin

ID: ALA3272685

Chembl Id: CHEMBL3272685

PubChem CID: 90677656

Max Phase: Preclinical

Molecular Formula: C49H63N11O11S3

Molecular Weight: 1078.31

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

Standard InChI:  InChI=1S/C49H63N11O11S3/c1-72-20-18-33(43(65)53-25-41(52)63)54-48(70)39-13-8-19-60(39)49(71)38-27-74-73-26-32(50)42(64)55-34(23-30-14-16-31(61)17-15-30)44(66)56-35(21-28-9-4-2-5-10-28)45(67)57-36(22-29-11-6-3-7-12-29)46(68)58-37(24-40(51)62)47(69)59-38/h2-7,9-12,14-17,32-39,61H,8,13,18-27,50H2,1H3,(H2,51,62)(H2,52,63)(H,53,65)(H,54,70)(H,55,64)(H,56,66)(H,57,67)(H,58,68)(H,59,69)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1

Standard InChI Key:  VUWULZZFQKASHC-FDISYFBBSA-N

Alternative Forms

1. Parent:

   

   ALA3272685

   H-Cys(1)-Tyr-Phe-Phe-Asn-Cys(1)-Pro-Met-Gly-NH2

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1078.31

Molecular Weight (Monoisotopic): 1077.3871

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References

1. Smith CW, Botos CR, Skala G, Walter R..  (1977)  Conformation-activity studies of oxytocin. Effects of structural modifications at corner positions of the beta-turns on the uterotonic activity.,  20  (11): [PMID:915905] [10.1021/jm00221a018]

Source

Source(1):

• Scientific Literature