(S)-2-((S)-2-acetamido-3-(4-hydroxyphenyl)propanamido)-N1-((6S,9S,15S,18S,21S,24S)-1-amino-21-(2-amino-2-oxoethyl)-6-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-ylcarbamoyl)-15-benzyl-18-(hydroxymethyl)-1-imino-25-(1H-indol-3-yl)-9-isobutyl-8,11,14,17,20,23-hexaoxo-2,7,10,13,16,19,22-heptaazapentacosan-24-yl)succinamide

ID: ALA3422407

Chembl Id: CHEMBL3422407

PubChem CID: 90324505

Max Phase: Preclinical

Molecular Formula: C65H85N17O16

Molecular Weight: 1360.50

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

Standard InChI:  InChI=1S/C65H85N17O16/c1-34(2)24-46(59(93)76-44(14-9-23-71-65(69)70)58(92)77-45(56(68)90)25-37-15-19-40(85)20-16-37)75-55(89)32-73-57(91)47(26-36-10-5-4-6-11-36)78-64(98)52(33-83)82-63(97)51(30-54(67)88)81-61(95)49(28-39-31-72-43-13-8-7-12-42(39)43)79-62(96)50(29-53(66)87)80-60(94)48(74-35(3)84)27-38-17-21-41(86)22-18-38/h4-8,10-13,15-22,31,34,44-52,72,83,85-86H,9,14,23-30,32-33H2,1-3H3,(H2,66,87)(H2,67,88)(H2,68,90)(H,73,91)(H,74,84)(H,75,89)(H,76,93)(H,77,92)(H,78,98)(H,79,96)(H,80,94)(H,81,95)(H,82,97)(H4,69,70,71)/t44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1

Standard InChI Key:  CDIVFGPLVNRLER-YDFDUYJKSA-N

Alternative Forms

1. Parent:

   

   ALA3422407

   Ac-Tyr-Asn-Trp-Asn-Ser-Phe-Gly-Leu-Arg-Tyr-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: 1360.50

Molecular Weight (Monoisotopic): 1359.6360

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References

1. Beltramo M, Robert V, Galibert M, Madinier JB, Marceau P, Dardente H, Decourt C, De Roux N, Lomet D, Delmas AF, Caraty A, Aucagne V..  (2015)  Rational design of triazololipopeptides analogs of kisspeptin inducing a long-lasting increase of gonadotropins.,  58  (8): [PMID:25811530] [10.1021/jm5019675]

Source

Source(1):

• Scientific Literature